From 1911667c9f33bbbf8187d642ba063f3ca38b5093 Mon Sep 17 00:00:00 2001 From: Cannon07 Date: Tue, 17 Dec 2024 19:22:02 +0000 Subject: [PATCH] =?UTF-8?q?Deploying=20to=20gh-pages=20from=20@=20deepchem?= =?UTF-8?q?/deepchem.github.io@ac6afc530702f86c0bf17d4432de0be0f16f3f44=20?= =?UTF-8?q?=F0=9F=9A=80?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- 404.html | 4 ++-- 404/index.html | 4 ++-- .../_buildManifest.js | 2 +- .../_ssgManifest.js | 0 ...d37f329a130c453.js => layers-5b032c55560d811a.js} | 2 +- ...a66639ee7bd2da4.js => models-080633e62947c1f1.js} | 2 +- ...5e5.js => deepchemxalphafold-ca94a600f6b88002.js} | 2 +- ...-with-chemberta-transformers-ca536fa3bb1034dc.js} | 2 +- about/index.html | 2 +- index.html | 4 ++-- layers/index.html | 2 +- models/index.html | 2 +- .../index.html | 4 ++-- .../index.html | 4 ++-- tutorials/advanced-model-training/index.html | 4 ++-- tutorials/an-introduction-to-moleculenet/index.html | 4 ++-- .../index.html | 4 ++-- .../atomic-contributions-for-molecules/index.html | 4 ++-- tutorials/cell-counting-tutorial/index.html | 4 ++-- tutorials/compiling-deepchem-torch-models/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- .../crystallization-tendency-regression/index.html | 4 ++-- .../index.html | 4 ++-- .../deepchem-antibodytutorial-simplified/index.html | 4 ++-- tutorials/deepchemxalphafold/index.html | 12 ++++++------ tutorials/deepqmc-tutorial/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- .../generating-molecules-with-molgan/index.html | 4 ++-- .../index.html | 4 ++-- tutorials/index.html | 2 +- .../index.html | 4 ++-- .../introducing-jaxmodel-and-pinnmodel/index.html | 4 ++-- tutorials/introduction-to-binding-sites/index.html | 4 ++-- tutorials/introduction-to-bioinformatics/index.html | 4 ++-- tutorials/introduction-to-equivariance/index.html | 4 ++-- .../introduction-to-gaussian-processes/index.html | 4 ++-- .../introduction-to-graph-convolutions/index.html | 4 ++-- tutorials/introduction-to-grover/index.html | 4 ++-- .../introduction-to-material-science/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- tutorials/introduction-to-polymer-smiles/index.html | 4 ++-- tutorials/introduction-to-protacs/index.html | 4 ++-- tutorials/introduction-to-protbert/index.html | 4 ++-- tutorials/large-scale-chemical-screens/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- .../modeling-protein-ligand-interactions/index.html | 4 ++-- tutorials/molecular-fingerprints/index.html | 4 ++-- tutorials/multisequence-alignments/index.html | 4 ++-- .../index.html | 4 ++-- .../physics-informed-neural-networks/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- tutorials/protein-deep-learning/index.html | 4 ++-- .../index.html | 4 ++-- tutorials/proteinlm-tutorial0/index.html | 4 ++-- .../putting-multitask-learning-to-work/index.html | 4 ++-- tutorials/pytorchlightning-integration/index.html | 4 ++-- tutorials/scanpy/index.html | 4 ++-- tutorials/synthetic-feasibility-scoring/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- .../training-a-normalizing-flow-on-qm9/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 12 ++++++------ tutorials/uncertainty-in-deep-learning/index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- .../index.html | 4 ++-- tutorials/working-with-datasets/index.html | 4 ++-- tutorials/working-with-splitters/index.html | 4 ++-- 76 files changed, 149 insertions(+), 149 deletions(-) rename _next/static/{qf1JU_l2RG7-a6wv1PubV => 4WH7a3Ij5FJFGJspB23dK}/_buildManifest.js (98%) rename _next/static/{qf1JU_l2RG7-a6wv1PubV => 4WH7a3Ij5FJFGJspB23dK}/_ssgManifest.js (100%) rename _next/static/chunks/pages/{layers-dd37f329a130c453.js => layers-5b032c55560d811a.js} (98%) rename _next/static/chunks/pages/{models-3a66639ee7bd2da4.js => models-080633e62947c1f1.js} (96%) rename _next/static/chunks/pages/tutorials/{deepchemxalphafold-983483ba6cd165e5.js => deepchemxalphafold-ca94a600f6b88002.js} (99%) rename _next/static/chunks/pages/tutorials/{transfer-learning-with-chemberta-transformers-88d8492613f4480a.js => transfer-learning-with-chemberta-transformers-ca536fa3bb1034dc.js} (99%) diff --git a/404.html b/404.html index ce6ea08c..8ad8978f 100644 --- a/404.html +++ b/404.html @@ -1,4 +1,4 @@ -404: This page could not be found

404

This page could not be found.

\ No newline at end of file + }

404

This page could not be found.

\ No newline at end of file diff --git a/404/index.html b/404/index.html index ce6ea08c..8ad8978f 100644 --- a/404/index.html +++ b/404/index.html @@ -1,4 +1,4 @@ -404: This page could not be found

404

This page could not be found.

\ No newline at end of file + }

404

This page could not be found.

\ No newline at end of file diff --git a/_next/static/qf1JU_l2RG7-a6wv1PubV/_buildManifest.js b/_next/static/4WH7a3Ij5FJFGJspB23dK/_buildManifest.js similarity index 98% rename from _next/static/qf1JU_l2RG7-a6wv1PubV/_buildManifest.js rename to _next/static/4WH7a3Ij5FJFGJspB23dK/_buildManifest.js index 4368a8b6..347010dc 100644 --- a/_next/static/qf1JU_l2RG7-a6wv1PubV/_buildManifest.js +++ b/_next/static/4WH7a3Ij5FJFGJspB23dK/_buildManifest.js @@ -1 +1 @@ -self.__BUILD_MANIFEST=function(t,i){return{__rewrites:{beforeFiles:[],afterFiles:[],fallback:[]},"/":[i,"static/chunks/8794-05457189eb22e507.js","static/chunks/pages/index-2ef2e960127b90e0.js"],"/_error":["static/chunks/pages/_error-9222faf9ee4a01b4.js"],"/about":[i,"static/chunks/pages/about-ec5964c90d53c06d.js"],"/layers":["static/chunks/pages/layers-dd37f329a130c453.js"],"/models":["static/chunks/pages/models-3a66639ee7bd2da4.js"],"/tutorials":["static/chunks/pages/tutorials-66553629b2f02146.js"],"/tutorials/about-node-using-torchdiffeq-in-deepchem":[t,"static/chunks/pages/tutorials/about-node-using-torchdiffeq-in-deepchem-b219dc90faec47f4.js"],"/tutorials/advanced-model-training":[t,"static/chunks/pages/tutorials/advanced-model-training-3ca24d86cb272eed.js"],"/tutorials/advanced-model-training-using-hyperopt":[t,"static/chunks/pages/tutorials/advanced-model-training-using-hyperopt-d9c3a5895b6f5845.js"],"/tutorials/an-introduction-to-moleculenet":[t,"static/chunks/pages/tutorials/an-introduction-to-moleculenet-97204d92bdfeef01.js"],"/tutorials/an-introduction-to-the-polymers-and-their-representation":[t,"static/chunks/pages/tutorials/an-introduction-to-the-polymers-and-their-representation-4bec5a556d873473.js"],"/tutorials/atomic-contributions-for-molecules":[t,"static/chunks/pages/tutorials/atomic-contributions-for-molecules-3ce3c4d2699b7eef.js"],"/tutorials/cell-counting-tutorial":[t,"static/chunks/pages/tutorials/cell-counting-tutorial-a758efdcecb4ed9a.js"],"/tutorials/compiling-deepchem-torch-models":[t,"static/chunks/pages/tutorials/compiling-deepchem-torch-models-c53d89c253010d99.js"],"/tutorials/conditional-generative-adversarial-networks":[t,"static/chunks/pages/tutorials/conditional-generative-adversarial-networks-b27e8f11b87e0349.js"],"/tutorials/creating-a-high-fidelity-model-from-experimental-data":[t,"static/chunks/pages/tutorials/creating-a-high-fidelity-model-from-experimental-data-824d318fc2fd1090.js"],"/tutorials/creating-models-with-tensorflow-and-pytorch":[t,"static/chunks/pages/tutorials/creating-models-with-tensorflow-and-pytorch-dfb2d0c6e80a5299.js"],"/tutorials/crystallization-tendency-regression":[t,"static/chunks/pages/tutorials/crystallization-tendency-regression-22c7d097f54655c1.js"],"/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data":[t,"static/chunks/pages/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data-7acedd27a1e77296.js"],"/tutorials/deepchem-antibodytutorial-simplified":[t,"static/chunks/pages/tutorials/deepchem-antibodytutorial-simplified-6c29783bd5bd4b62.js"],"/tutorials/deepchemxalphafold":[t,"static/chunks/pages/tutorials/deepchemxalphafold-983483ba6cd165e5.js"],"/tutorials/deepqmc-tutorial":[t,"static/chunks/pages/tutorials/deepqmc-tutorial-04443687b2c58873.js"],"/tutorials/differentiation-infrastructure-in-deepchem":[t,"static/chunks/pages/tutorials/differentiation-infrastructure-in-deepchem-488f7142fc829592.js"],"/tutorials/druggablity-assessment-with-fpocket-and-machine-learning":[t,"static/chunks/pages/tutorials/druggablity-assessment-with-fpocket-and-machine-learning-e8bbf679b989e229.js"],"/tutorials/exploring-quantum-chemistry-with-gdb1k":[t,"static/chunks/pages/tutorials/exploring-quantum-chemistry-with-gdb1k-f0ae3e931732ac06.js"],"/tutorials/generating-molecules-with-molgan":[t,"static/chunks/pages/tutorials/generating-molecules-with-molgan-5727734688fe2f93.js"],"/tutorials/going-deeper-on-molecular-featurizations":[t,"static/chunks/pages/tutorials/going-deeper-on-molecular-featurizations-85c91b055ab26db1.js"],"/tutorials/interactive-model-evaluation-with-trident-chemwidgets":[t,"static/chunks/pages/tutorials/interactive-model-evaluation-with-trident-chemwidgets-2559e3e80297931a.js"],"/tutorials/introducing-jaxmodel-and-pinnmodel":[t,"static/chunks/pages/tutorials/introducing-jaxmodel-and-pinnmodel-e5c0590e0f218756.js"],"/tutorials/introduction-to-binding-sites":[t,"static/chunks/pages/tutorials/introduction-to-binding-sites-f17b876939e2ed92.js"],"/tutorials/introduction-to-bioinformatics":[t,"static/chunks/pages/tutorials/introduction-to-bioinformatics-cabcb63680622644.js"],"/tutorials/introduction-to-equivariance":[t,"static/chunks/pages/tutorials/introduction-to-equivariance-774516137e4027b4.js"],"/tutorials/introduction-to-gaussian-processes":[t,"static/chunks/pages/tutorials/introduction-to-gaussian-processes-315c878061d28ff7.js"],"/tutorials/introduction-to-graph-convolutions":[t,"static/chunks/pages/tutorials/introduction-to-graph-convolutions-25a8e32f74092fe1.js"],"/tutorials/introduction-to-grover":[t,"static/chunks/pages/tutorials/introduction-to-grover-ab2b1cc1ef71f9a1.js"],"/tutorials/introduction-to-material-science":[t,"static/chunks/pages/tutorials/introduction-to-material-science-82a5e605e51e99e0.js"],"/tutorials/introduction-to-model-interpretability":[t,"static/chunks/pages/tutorials/introduction-to-model-interpretability-b4e71621db7dd090.js"],"/tutorials/introduction-to-molecular-attention-transformer":[t,"static/chunks/pages/tutorials/introduction-to-molecular-attention-transformer-4e3ee319cd1b4a14.js"],"/tutorials/introduction-to-polymer-smiles":[t,"static/chunks/pages/tutorials/introduction-to-polymer-smiles-32a8f4a7805dfe01.js"],"/tutorials/introduction-to-protacs":[t,"static/chunks/pages/tutorials/introduction-to-protacs-c5bd711e732440ec.js"],"/tutorials/introduction-to-protbert":[t,"static/chunks/pages/tutorials/introduction-to-protbert-17cd180c0debda93.js"],"/tutorials/large-scale-chemical-screens":[t,"static/chunks/pages/tutorials/large-scale-chemical-screens-2cf12706d1755953.js"],"/tutorials/learning-unsupervised-embeddings-for-molecules":[t,"static/chunks/pages/tutorials/learning-unsupervised-embeddings-for-molecules-dcd4e8e266e14562.js"],"/tutorials/modeling-protein-ligand-interactions":[t,"static/chunks/pages/tutorials/modeling-protein-ligand-interactions-44309687f70d391c.js"],"/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions":[t,"static/chunks/pages/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions-db23c0fdef4e3451.js"],"/tutorials/molecular-fingerprints":[t,"static/chunks/pages/tutorials/molecular-fingerprints-ecf92b3baf79dd0b.js"],"/tutorials/multisequence-alignments":[t,"static/chunks/pages/tutorials/multisequence-alignments-5f0d8eecd7b9ff13.js"],"/tutorials/ordinary-differential-equation-solving-using-deepchem":[t,"static/chunks/pages/tutorials/ordinary-differential-equation-solving-using-deepchem-e454655e196f2416.js"],"/tutorials/physics-informed-neural-networks":[t,"static/chunks/pages/tutorials/physics-informed-neural-networks-9bb4be41ab849c61.js"],"/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation":[t,"static/chunks/pages/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation-1bde412fc789823e.js"],"/tutorials/predict-multi-label-odor-descriptors-using-openpom":[t,"static/chunks/pages/tutorials/predict-multi-label-odor-descriptors-using-openpom-94a53e5c4d95756a.js"],"/tutorials/protein-deep-learning":[t,"static/chunks/pages/tutorials/protein-deep-learning-342ca119d77181d6.js"],"/tutorials/protein-structure-prediction-with-esmfold":[t,"static/chunks/pages/tutorials/protein-structure-prediction-with-esmfold-d63ad90ff12d55e5.js"],"/tutorials/proteinlm-tutorial0":[t,"static/chunks/pages/tutorials/proteinlm-tutorial0-67f6440c2a33e525.js"],"/tutorials/putting-multitask-learning-to-work":[t,"static/chunks/pages/tutorials/putting-multitask-learning-to-work-0577bdf30f9f7b74.js"],"/tutorials/pytorchlightning-integration":[t,"static/chunks/pages/tutorials/pytorchlightning-integration-f295caa0ece6c66f.js"],"/tutorials/scanpy":[t,"static/chunks/pages/tutorials/scanpy-a44ee7d8cbc99e18.js"],"/tutorials/synthetic-feasibility-scoring":[t,"static/chunks/pages/tutorials/synthetic-feasibility-scoring-8660afa67f32ac0f.js"],"/tutorials/the-basic-tools-of-the-deep-life-sciences":[t,"static/chunks/pages/tutorials/the-basic-tools-of-the-deep-life-sciences-bced064ebe633dee.js"],"/tutorials/training-a-generative-adversarial-network-on-mnist":[t,"static/chunks/pages/tutorials/training-a-generative-adversarial-network-on-mnist-c93d3c278c847634.js"],"/tutorials/training-a-normalizing-flow-on-qm9":[t,"static/chunks/pages/tutorials/training-a-normalizing-flow-on-qm9-ffe491fc78b42042.js"],"/tutorials/training-an-exchange-correlation-functional-using-deepchem":[t,"static/chunks/pages/tutorials/training-an-exchange-correlation-functional-using-deepchem-73fa2934e23bc07b.js"],"/tutorials/transfer-learning-with-chemberta-transformers":[t,"static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-88d8492613f4480a.js"],"/tutorials/uncertainty-in-deep-learning":[t,"static/chunks/pages/tutorials/uncertainty-in-deep-learning-c48080bd9c822520.js"],"/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations":[t,"static/chunks/pages/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations-79293cd2565e1f77.js"],"/tutorials/uniprot-data-preprocessing-for-binding-sites":[t,"static/chunks/pages/tutorials/uniprot-data-preprocessing-for-binding-sites-1755dec0c5d823a6.js"],"/tutorials/using-reinforcement-learning-to-play-pong":[t,"static/chunks/pages/tutorials/using-reinforcement-learning-to-play-pong-6d6201134f1e1e46.js"],"/tutorials/working-with-datasets":[t,"static/chunks/pages/tutorials/working-with-datasets-40e6f672cd013c9f.js"],"/tutorials/working-with-splitters":[t,"static/chunks/pages/tutorials/working-with-splitters-605226f733eb8ca6.js"],sortedPages:["/","/_app","/_error","/about","/layers","/models","/tutorials","/tutorials/about-node-using-torchdiffeq-in-deepchem","/tutorials/advanced-model-training","/tutorials/advanced-model-training-using-hyperopt","/tutorials/an-introduction-to-moleculenet","/tutorials/an-introduction-to-the-polymers-and-their-representation","/tutorials/atomic-contributions-for-molecules","/tutorials/cell-counting-tutorial","/tutorials/compiling-deepchem-torch-models","/tutorials/conditional-generative-adversarial-networks","/tutorials/creating-a-high-fidelity-model-from-experimental-data","/tutorials/creating-models-with-tensorflow-and-pytorch","/tutorials/crystallization-tendency-regression","/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data","/tutorials/deepchem-antibodytutorial-simplified","/tutorials/deepchemxalphafold","/tutorials/deepqmc-tutorial","/tutorials/differentiation-infrastructure-in-deepchem","/tutorials/druggablity-assessment-with-fpocket-and-machine-learning","/tutorials/exploring-quantum-chemistry-with-gdb1k","/tutorials/generating-molecules-with-molgan","/tutorials/going-deeper-on-molecular-featurizations","/tutorials/interactive-model-evaluation-with-trident-chemwidgets","/tutorials/introducing-jaxmodel-and-pinnmodel","/tutorials/introduction-to-binding-sites","/tutorials/introduction-to-bioinformatics","/tutorials/introduction-to-equivariance","/tutorials/introduction-to-gaussian-processes","/tutorials/introduction-to-graph-convolutions","/tutorials/introduction-to-grover","/tutorials/introduction-to-material-science","/tutorials/introduction-to-model-interpretability","/tutorials/introduction-to-molecular-attention-transformer","/tutorials/introduction-to-polymer-smiles","/tutorials/introduction-to-protacs","/tutorials/introduction-to-protbert","/tutorials/large-scale-chemical-screens","/tutorials/learning-unsupervised-embeddings-for-molecules","/tutorials/modeling-protein-ligand-interactions","/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions","/tutorials/molecular-fingerprints","/tutorials/multisequence-alignments","/tutorials/ordinary-differential-equation-solving-using-deepchem","/tutorials/physics-informed-neural-networks","/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation","/tutorials/predict-multi-label-odor-descriptors-using-openpom","/tutorials/protein-deep-learning","/tutorials/protein-structure-prediction-with-esmfold","/tutorials/proteinlm-tutorial0","/tutorials/putting-multitask-learning-to-work","/tutorials/pytorchlightning-integration","/tutorials/scanpy","/tutorials/synthetic-feasibility-scoring","/tutorials/the-basic-tools-of-the-deep-life-sciences","/tutorials/training-a-generative-adversarial-network-on-mnist","/tutorials/training-a-normalizing-flow-on-qm9","/tutorials/training-an-exchange-correlation-functional-using-deepchem","/tutorials/transfer-learning-with-chemberta-transformers","/tutorials/uncertainty-in-deep-learning","/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations","/tutorials/uniprot-data-preprocessing-for-binding-sites","/tutorials/using-reinforcement-learning-to-play-pong","/tutorials/working-with-datasets","/tutorials/working-with-splitters"]}}("static/chunks/2443-f8bacd2da0cd10cb.js","static/chunks/615-eb6796e090f9e6e1.js"),self.__BUILD_MANIFEST_CB&&self.__BUILD_MANIFEST_CB(); \ No newline at end of file +self.__BUILD_MANIFEST=function(t,i){return{__rewrites:{beforeFiles:[],afterFiles:[],fallback:[]},"/":[i,"static/chunks/8794-05457189eb22e507.js","static/chunks/pages/index-2ef2e960127b90e0.js"],"/_error":["static/chunks/pages/_error-9222faf9ee4a01b4.js"],"/about":[i,"static/chunks/pages/about-ec5964c90d53c06d.js"],"/layers":["static/chunks/pages/layers-5b032c55560d811a.js"],"/models":["static/chunks/pages/models-080633e62947c1f1.js"],"/tutorials":["static/chunks/pages/tutorials-66553629b2f02146.js"],"/tutorials/about-node-using-torchdiffeq-in-deepchem":[t,"static/chunks/pages/tutorials/about-node-using-torchdiffeq-in-deepchem-b219dc90faec47f4.js"],"/tutorials/advanced-model-training":[t,"static/chunks/pages/tutorials/advanced-model-training-3ca24d86cb272eed.js"],"/tutorials/advanced-model-training-using-hyperopt":[t,"static/chunks/pages/tutorials/advanced-model-training-using-hyperopt-d9c3a5895b6f5845.js"],"/tutorials/an-introduction-to-moleculenet":[t,"static/chunks/pages/tutorials/an-introduction-to-moleculenet-97204d92bdfeef01.js"],"/tutorials/an-introduction-to-the-polymers-and-their-representation":[t,"static/chunks/pages/tutorials/an-introduction-to-the-polymers-and-their-representation-4bec5a556d873473.js"],"/tutorials/atomic-contributions-for-molecules":[t,"static/chunks/pages/tutorials/atomic-contributions-for-molecules-3ce3c4d2699b7eef.js"],"/tutorials/cell-counting-tutorial":[t,"static/chunks/pages/tutorials/cell-counting-tutorial-a758efdcecb4ed9a.js"],"/tutorials/compiling-deepchem-torch-models":[t,"static/chunks/pages/tutorials/compiling-deepchem-torch-models-c53d89c253010d99.js"],"/tutorials/conditional-generative-adversarial-networks":[t,"static/chunks/pages/tutorials/conditional-generative-adversarial-networks-b27e8f11b87e0349.js"],"/tutorials/creating-a-high-fidelity-model-from-experimental-data":[t,"static/chunks/pages/tutorials/creating-a-high-fidelity-model-from-experimental-data-824d318fc2fd1090.js"],"/tutorials/creating-models-with-tensorflow-and-pytorch":[t,"static/chunks/pages/tutorials/creating-models-with-tensorflow-and-pytorch-dfb2d0c6e80a5299.js"],"/tutorials/crystallization-tendency-regression":[t,"static/chunks/pages/tutorials/crystallization-tendency-regression-22c7d097f54655c1.js"],"/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data":[t,"static/chunks/pages/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data-7acedd27a1e77296.js"],"/tutorials/deepchem-antibodytutorial-simplified":[t,"static/chunks/pages/tutorials/deepchem-antibodytutorial-simplified-6c29783bd5bd4b62.js"],"/tutorials/deepchemxalphafold":[t,"static/chunks/pages/tutorials/deepchemxalphafold-ca94a600f6b88002.js"],"/tutorials/deepqmc-tutorial":[t,"static/chunks/pages/tutorials/deepqmc-tutorial-04443687b2c58873.js"],"/tutorials/differentiation-infrastructure-in-deepchem":[t,"static/chunks/pages/tutorials/differentiation-infrastructure-in-deepchem-488f7142fc829592.js"],"/tutorials/druggablity-assessment-with-fpocket-and-machine-learning":[t,"static/chunks/pages/tutorials/druggablity-assessment-with-fpocket-and-machine-learning-e8bbf679b989e229.js"],"/tutorials/exploring-quantum-chemistry-with-gdb1k":[t,"static/chunks/pages/tutorials/exploring-quantum-chemistry-with-gdb1k-f0ae3e931732ac06.js"],"/tutorials/generating-molecules-with-molgan":[t,"static/chunks/pages/tutorials/generating-molecules-with-molgan-5727734688fe2f93.js"],"/tutorials/going-deeper-on-molecular-featurizations":[t,"static/chunks/pages/tutorials/going-deeper-on-molecular-featurizations-85c91b055ab26db1.js"],"/tutorials/interactive-model-evaluation-with-trident-chemwidgets":[t,"static/chunks/pages/tutorials/interactive-model-evaluation-with-trident-chemwidgets-2559e3e80297931a.js"],"/tutorials/introducing-jaxmodel-and-pinnmodel":[t,"static/chunks/pages/tutorials/introducing-jaxmodel-and-pinnmodel-e5c0590e0f218756.js"],"/tutorials/introduction-to-binding-sites":[t,"static/chunks/pages/tutorials/introduction-to-binding-sites-f17b876939e2ed92.js"],"/tutorials/introduction-to-bioinformatics":[t,"static/chunks/pages/tutorials/introduction-to-bioinformatics-cabcb63680622644.js"],"/tutorials/introduction-to-equivariance":[t,"static/chunks/pages/tutorials/introduction-to-equivariance-774516137e4027b4.js"],"/tutorials/introduction-to-gaussian-processes":[t,"static/chunks/pages/tutorials/introduction-to-gaussian-processes-315c878061d28ff7.js"],"/tutorials/introduction-to-graph-convolutions":[t,"static/chunks/pages/tutorials/introduction-to-graph-convolutions-25a8e32f74092fe1.js"],"/tutorials/introduction-to-grover":[t,"static/chunks/pages/tutorials/introduction-to-grover-ab2b1cc1ef71f9a1.js"],"/tutorials/introduction-to-material-science":[t,"static/chunks/pages/tutorials/introduction-to-material-science-82a5e605e51e99e0.js"],"/tutorials/introduction-to-model-interpretability":[t,"static/chunks/pages/tutorials/introduction-to-model-interpretability-b4e71621db7dd090.js"],"/tutorials/introduction-to-molecular-attention-transformer":[t,"static/chunks/pages/tutorials/introduction-to-molecular-attention-transformer-4e3ee319cd1b4a14.js"],"/tutorials/introduction-to-polymer-smiles":[t,"static/chunks/pages/tutorials/introduction-to-polymer-smiles-32a8f4a7805dfe01.js"],"/tutorials/introduction-to-protacs":[t,"static/chunks/pages/tutorials/introduction-to-protacs-c5bd711e732440ec.js"],"/tutorials/introduction-to-protbert":[t,"static/chunks/pages/tutorials/introduction-to-protbert-17cd180c0debda93.js"],"/tutorials/large-scale-chemical-screens":[t,"static/chunks/pages/tutorials/large-scale-chemical-screens-2cf12706d1755953.js"],"/tutorials/learning-unsupervised-embeddings-for-molecules":[t,"static/chunks/pages/tutorials/learning-unsupervised-embeddings-for-molecules-dcd4e8e266e14562.js"],"/tutorials/modeling-protein-ligand-interactions":[t,"static/chunks/pages/tutorials/modeling-protein-ligand-interactions-44309687f70d391c.js"],"/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions":[t,"static/chunks/pages/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions-db23c0fdef4e3451.js"],"/tutorials/molecular-fingerprints":[t,"static/chunks/pages/tutorials/molecular-fingerprints-ecf92b3baf79dd0b.js"],"/tutorials/multisequence-alignments":[t,"static/chunks/pages/tutorials/multisequence-alignments-5f0d8eecd7b9ff13.js"],"/tutorials/ordinary-differential-equation-solving-using-deepchem":[t,"static/chunks/pages/tutorials/ordinary-differential-equation-solving-using-deepchem-e454655e196f2416.js"],"/tutorials/physics-informed-neural-networks":[t,"static/chunks/pages/tutorials/physics-informed-neural-networks-9bb4be41ab849c61.js"],"/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation":[t,"static/chunks/pages/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation-1bde412fc789823e.js"],"/tutorials/predict-multi-label-odor-descriptors-using-openpom":[t,"static/chunks/pages/tutorials/predict-multi-label-odor-descriptors-using-openpom-94a53e5c4d95756a.js"],"/tutorials/protein-deep-learning":[t,"static/chunks/pages/tutorials/protein-deep-learning-342ca119d77181d6.js"],"/tutorials/protein-structure-prediction-with-esmfold":[t,"static/chunks/pages/tutorials/protein-structure-prediction-with-esmfold-d63ad90ff12d55e5.js"],"/tutorials/proteinlm-tutorial0":[t,"static/chunks/pages/tutorials/proteinlm-tutorial0-67f6440c2a33e525.js"],"/tutorials/putting-multitask-learning-to-work":[t,"static/chunks/pages/tutorials/putting-multitask-learning-to-work-0577bdf30f9f7b74.js"],"/tutorials/pytorchlightning-integration":[t,"static/chunks/pages/tutorials/pytorchlightning-integration-f295caa0ece6c66f.js"],"/tutorials/scanpy":[t,"static/chunks/pages/tutorials/scanpy-a44ee7d8cbc99e18.js"],"/tutorials/synthetic-feasibility-scoring":[t,"static/chunks/pages/tutorials/synthetic-feasibility-scoring-8660afa67f32ac0f.js"],"/tutorials/the-basic-tools-of-the-deep-life-sciences":[t,"static/chunks/pages/tutorials/the-basic-tools-of-the-deep-life-sciences-bced064ebe633dee.js"],"/tutorials/training-a-generative-adversarial-network-on-mnist":[t,"static/chunks/pages/tutorials/training-a-generative-adversarial-network-on-mnist-c93d3c278c847634.js"],"/tutorials/training-a-normalizing-flow-on-qm9":[t,"static/chunks/pages/tutorials/training-a-normalizing-flow-on-qm9-ffe491fc78b42042.js"],"/tutorials/training-an-exchange-correlation-functional-using-deepchem":[t,"static/chunks/pages/tutorials/training-an-exchange-correlation-functional-using-deepchem-73fa2934e23bc07b.js"],"/tutorials/transfer-learning-with-chemberta-transformers":[t,"static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-ca536fa3bb1034dc.js"],"/tutorials/uncertainty-in-deep-learning":[t,"static/chunks/pages/tutorials/uncertainty-in-deep-learning-c48080bd9c822520.js"],"/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations":[t,"static/chunks/pages/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations-79293cd2565e1f77.js"],"/tutorials/uniprot-data-preprocessing-for-binding-sites":[t,"static/chunks/pages/tutorials/uniprot-data-preprocessing-for-binding-sites-1755dec0c5d823a6.js"],"/tutorials/using-reinforcement-learning-to-play-pong":[t,"static/chunks/pages/tutorials/using-reinforcement-learning-to-play-pong-6d6201134f1e1e46.js"],"/tutorials/working-with-datasets":[t,"static/chunks/pages/tutorials/working-with-datasets-40e6f672cd013c9f.js"],"/tutorials/working-with-splitters":[t,"static/chunks/pages/tutorials/working-with-splitters-605226f733eb8ca6.js"],sortedPages:["/","/_app","/_error","/about","/layers","/models","/tutorials","/tutorials/about-node-using-torchdiffeq-in-deepchem","/tutorials/advanced-model-training","/tutorials/advanced-model-training-using-hyperopt","/tutorials/an-introduction-to-moleculenet","/tutorials/an-introduction-to-the-polymers-and-their-representation","/tutorials/atomic-contributions-for-molecules","/tutorials/cell-counting-tutorial","/tutorials/compiling-deepchem-torch-models","/tutorials/conditional-generative-adversarial-networks","/tutorials/creating-a-high-fidelity-model-from-experimental-data","/tutorials/creating-models-with-tensorflow-and-pytorch","/tutorials/crystallization-tendency-regression","/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data","/tutorials/deepchem-antibodytutorial-simplified","/tutorials/deepchemxalphafold","/tutorials/deepqmc-tutorial","/tutorials/differentiation-infrastructure-in-deepchem","/tutorials/druggablity-assessment-with-fpocket-and-machine-learning","/tutorials/exploring-quantum-chemistry-with-gdb1k","/tutorials/generating-molecules-with-molgan","/tutorials/going-deeper-on-molecular-featurizations","/tutorials/interactive-model-evaluation-with-trident-chemwidgets","/tutorials/introducing-jaxmodel-and-pinnmodel","/tutorials/introduction-to-binding-sites","/tutorials/introduction-to-bioinformatics","/tutorials/introduction-to-equivariance","/tutorials/introduction-to-gaussian-processes","/tutorials/introduction-to-graph-convolutions","/tutorials/introduction-to-grover","/tutorials/introduction-to-material-science","/tutorials/introduction-to-model-interpretability","/tutorials/introduction-to-molecular-attention-transformer","/tutorials/introduction-to-polymer-smiles","/tutorials/introduction-to-protacs","/tutorials/introduction-to-protbert","/tutorials/large-scale-chemical-screens","/tutorials/learning-unsupervised-embeddings-for-molecules","/tutorials/modeling-protein-ligand-interactions","/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions","/tutorials/molecular-fingerprints","/tutorials/multisequence-alignments","/tutorials/ordinary-differential-equation-solving-using-deepchem","/tutorials/physics-informed-neural-networks","/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation","/tutorials/predict-multi-label-odor-descriptors-using-openpom","/tutorials/protein-deep-learning","/tutorials/protein-structure-prediction-with-esmfold","/tutorials/proteinlm-tutorial0","/tutorials/putting-multitask-learning-to-work","/tutorials/pytorchlightning-integration","/tutorials/scanpy","/tutorials/synthetic-feasibility-scoring","/tutorials/the-basic-tools-of-the-deep-life-sciences","/tutorials/training-a-generative-adversarial-network-on-mnist","/tutorials/training-a-normalizing-flow-on-qm9","/tutorials/training-an-exchange-correlation-functional-using-deepchem","/tutorials/transfer-learning-with-chemberta-transformers","/tutorials/uncertainty-in-deep-learning","/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations","/tutorials/uniprot-data-preprocessing-for-binding-sites","/tutorials/using-reinforcement-learning-to-play-pong","/tutorials/working-with-datasets","/tutorials/working-with-splitters"]}}("static/chunks/2443-f8bacd2da0cd10cb.js","static/chunks/615-eb6796e090f9e6e1.js"),self.__BUILD_MANIFEST_CB&&self.__BUILD_MANIFEST_CB(); \ No newline at end of file diff --git a/_next/static/qf1JU_l2RG7-a6wv1PubV/_ssgManifest.js b/_next/static/4WH7a3Ij5FJFGJspB23dK/_ssgManifest.js similarity index 100% rename from _next/static/qf1JU_l2RG7-a6wv1PubV/_ssgManifest.js rename to _next/static/4WH7a3Ij5FJFGJspB23dK/_ssgManifest.js diff --git a/_next/static/chunks/pages/layers-dd37f329a130c453.js b/_next/static/chunks/pages/layers-5b032c55560d811a.js similarity index 98% rename from _next/static/chunks/pages/layers-dd37f329a130c453.js rename to _next/static/chunks/pages/layers-5b032c55560d811a.js index 8478f7ec..c9cc67d7 100644 --- a/_next/static/chunks/pages/layers-dd37f329a130c453.js +++ b/_next/static/chunks/pages/layers-5b032c55560d811a.js @@ -1 +1 @@ -(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[8655],{9623:function(e,r,t){(window.__NEXT_P=window.__NEXT_P||[]).push(["/layers",function(){return t(1998)}])},2584:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-filter.16ad9edc.png",height:17,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAp0lEQVR42j2NPQrCQBBGt9BTiJDdmRVsBRtBBAtBCxUEO7EQDQbttRGbJGcQr5aTpIlPyO7C45uf5Y1RdTMVO/HiKhV3V5UxuWG+IueG5QOu0MAHzqq2gBLeJjyRJAn10PlOXKC6oMraRGtzztXUezgYL/aEKmvVa7KAGnb0x2gaiLOh7muvGxdonvxO0Tbkl1Mps5wsydf/xFQBKrjRj1BvqZeqdvEDWxYrcbIA//MAAAAASUVORK5CYII=",blurWidth:8,blurHeight:8}},4879:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-keras.077fc73f.png",height:17,width:17,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAMAAADz0U65AAAAclBMVEXOAADPAADQAADPAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADPAADPAADPAADQAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADQAADPAADQAADQAADQAADPAADPAADPAADQAADPAAACUe62AAAAJHRSTlMwV15jbnV2g4aJoqeoq6ywsb/Fx8nJy8zN0ODj5ejq6/D0+fpLvDFJAAAARklEQVR42g3KxQGAMBAEwMUdgkU4nE3/LZJ5D5Q2kzGuxMmbz84B8uZHtPgWwgSjZw/xcVGRHeRLmdVsQr7ILWSl7bxaV/7Q0gXFT+mJbQAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8}},9581:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-pytorch.9402b6f6.png",height:17,width:14,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAcAAAAICAYAAAA1BOUGAAAApUlEQVR42k2NoQ5CMQxFS/IwaAQSRcK6D3gEwkuQ7RI+Ao/jD5BoNAqDxvIcGoPhG7Z+A3fZSFhy0/bc9ZYs8JDwUFtoU/smqh9QGXxrym9Tt4rKIbNq8BLGx8Qt8hyF12Aagx9RUn7C6GpCPpHZJanfA3BfNnwD+DO30JVS4BeaKdj/qSN0Ihg7qEdMZ+Jn6A8wHibzMZUYJ4A3fLijnk3chIjoCwm7R+kV98+mAAAAAElFTkSuQmCC",blurWidth:7,blurHeight:8}},4283:function(e,r,t){"use strict";t.d(r,{Z:function(){return n}});var a=t(5893),l=t(5675),o=t.n(l),s={src:"/deepchem.github.io//_next/static/media/deepchem-cross.b0857477.png",height:18,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAQAAABuBnYAAAAAa0lEQVR42iWIwQnEMBADZTfgYpLCjAvzZx/Gbdz74DjySaSQCgKbhTAgNAPgTqocnGpbRmhWpyugs3uCWpxVRjvWyBWc8tCyl1jnAIectpfrDROsdC0y2bnI1fBJ7PIX9l8G8M9snBys3wQ85+xZh3uo3w8AAAAASUVORK5CYII=",blurWidth:8,blurHeight:8};let d=e=>{let{category:r,name:t,image:l}=e,d=t.replace(/Featurizer$/g,"");return(0,a.jsx)(a.Fragment,{children:(0,a.jsxs)("div",{className:"".concat(r.includes(t)?"btn-selected-filter":"btn-filter"),title:t,children:[l?(0,a.jsx)(o(),{src:r.includes(t)?s:l,alt:t,width:14}):r.includes(t)&&(0,a.jsx)(o(),{src:s,alt:t,width:14}),(0,a.jsx)("p",{className:"".concat(r.includes(t)?"btn-text-selected-filter":"btn-text-filter"),children:d.length>20?d.substring(0,20)+"...":d})]})})};var n=d},1998:function(e,r,t){"use strict";t.r(r),t.d(r,{default:function(){return u}});var a=t(5893),l=t(7294),o=t(5675),s=t.n(o),d=t(1664),n=t.n(d),c=t(9581),i=t(4879);let h=e=>{let{layer:r}=e,t=r.models.length?r.models.join(", "):"N/A";return t=t+" "+"\xa0".repeat(300),(0,a.jsx)(a.Fragment,{children:(0,a.jsx)(n(),{href:r.url,target:"_blank",children:(0,a.jsxs)("div",{className:"flex flex-col gap-4 py-4 px-5 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] layer-card hover:scale-[1.03] transition-all",children:[(0,a.jsx)("div",{className:"flex flex-row justify-between w-full gap-8 items-start",children:(0,a.jsx)("div",{className:"text-xl font-medium text-dc-orange",children:(0,r.name).replaceAll(/([A-Z]+)/g," $1").replace(/([^ ])(Layer)/,"$1 Layer")})}),(0,a.jsxs)("div",{className:"flex flex-row justify-center items-center gap-2.5 w-fit",children:["torch"===r.category&&(0,a.jsx)(s(),{src:c.Z,alt:"PyTorch",width:16}),"keras"===r.category&&(0,a.jsx)(s(),{src:i.Z,alt:"Keras",width:16}),(0,a.jsx)("div",{className:"font-medium text-sm text-dc-gray",children:r.category})]}),(0,a.jsxs)("div",{className:"text-base font-medium text-dc-light-blue w-full mt-4 md:mt-auto",children:[(0,a.jsx)("p",{className:"text-dc-gray/60",children:"Acceptable Models"}),(0,a.jsx)("p",{className:"text-xs text-dc-gray font-medium break-all",children:t})]})]})})})};var m=t(4283),p=JSON.parse('[{"name":"InteratomicL2Distances","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#interatomicl2distances","category":"keras","models":[],"layer_id":0},{"name":"GraphConv","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphconv","category":"keras","models":[],"layer_id":1},{"name":"GraphPool","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphpool","category":"keras","models":[],"layer_id":2},{"name":"GraphGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphgather","category":"keras","models":[],"layer_id":3},{"name":"MolGANConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganconvolutionlayer","category":"keras","models":["","MolGan"],"layer_id":4},{"name":"MolGANAggregationLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganaggregationlayer","category":"keras","models":["","MolGan"],"layer_id":5},{"name":"MolGANMultiConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganmulticonvolutionlayer","category":"keras","models":["","MolGan"],"layer_id":6},{"name":"MolGANEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganencoderlayer","category":"keras","models":["","MolGan"],"layer_id":7},{"name":"LSTMStep","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#lstmstep","category":"keras","models":[],"layer_id":8},{"name":"AttnLSTMEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#attnlstmembedding","category":"keras","models":[],"layer_id":9},{"name":"IterRefLSTMEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#iterreflstmembedding","category":"keras","models":[],"layer_id":10},{"name":"SwitchedDropout","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#switcheddropout","category":"keras","models":[],"layer_id":11},{"name":"WeightedLinearCombo","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weightedlinearcombo","category":"keras","models":[],"layer_id":12},{"name":"CombineMeanSt","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#combinemeanst","category":"keras","models":[],"layer_id":13},{"name":"Stack","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#stack","category":"keras","models":[],"layer_id":14},{"name":"VinaFreeEnergy","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#vinafreeenergy","category":"keras","models":[],"layer_id":15},{"name":"NeighborList","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#neighborlist","category":"keras","models":[],"layer_id":16},{"name":"AtomicConvolution","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#atomicconvolution","category":"keras","models":[],"layer_id":17},{"name":"AlphaShareLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#alphasharelayer","category":"keras","models":["","Sluice","Network"],"layer_id":18},{"name":"SluiceLoss","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#sluiceloss","category":"keras","models":["","Sluice","Network"],"layer_id":19},{"name":"BetaShare","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#betashare","category":"keras","models":["","Sluice","Network"],"layer_id":20},{"name":"ANIFeat","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#anifeat","category":"keras","models":[],"layer_id":21},{"name":"GraphEmbedPoolLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphembedpoollayer","category":"keras","models":[],"layer_id":22},{"name":"Highway","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#highway","category":"keras","models":[],"layer_id":23},{"name":"WeaveLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavelayer","category":"keras","models":[],"layer_id":24},{"name":"WeaveGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavegather","category":"keras","models":[],"layer_id":25},{"name":"DTNNEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnembedding","category":"keras","models":[],"layer_id":26},{"name":"DTNNStep","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnstep","category":"keras","models":[],"layer_id":27},{"name":"DTNNGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnngather","category":"keras","models":[],"layer_id":28},{"name":"DAGLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#daglayer","category":"keras","models":[],"layer_id":29},{"name":"DAGGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#daggather","category":"keras","models":[],"layer_id":30},{"name":"MessagePassing","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#messagepassing","category":"keras","models":[],"layer_id":31},{"name":"EdgeNetwork","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#edgenetwork","category":"keras","models":["","MessagePassing"],"layer_id":32},{"name":"GatedRecurrentUnit","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#gatedrecurrentunit","category":"keras","models":["","MessagePassing"],"layer_id":33},{"name":"SetGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#setgather","category":"keras","models":[],"layer_id":34},{"name":"MultilayerPerceptron","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#multilayerperceptron","category":"torch","models":[],"layer_id":35},{"name":"ScaleNorm","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#scalenorm","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":36},{"name":"MATEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#matencoderlayer","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":37},{"name":"MultiHeadedMATAttention","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#multiheadedmatattention","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":38},{"name":"SublayerConnection","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#sublayerconnection","category":"torch","models":["","Transformer"],"layer_id":39},{"name":"MATEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#matembedding","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":40},{"name":"MATGenerator","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#matgenerator","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":41},{"name":"Affine","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#affine","category":"torch","models":["","Normalizing","Flow"],"layer_id":42},{"name":"RealNVPLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#realnvplayer","category":"torch","models":["","Normalizing","Flow"],"layer_id":43},{"name":"DMPNNEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dmpnnencoderlayer","category":"torch","models":["","Normalizing","Flow"],"layer_id":44},{"name":"PositionwiseFeedForward","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#positionwisefeedforward","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":45},{"name":"GraphPool","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphpool","category":"torch","models":[],"layer_id":46},{"name":"GroverMPNEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#grovermpnencoder","category":"torch","models":["","Grover"],"layer_id":47},{"name":"GroverAttentionHead","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverattentionhead","category":"torch","models":["","Grover"],"layer_id":48},{"name":"GroverMTBlock","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#grovermtblock","category":"torch","models":["","Grover"],"layer_id":49},{"name":"GroverTransEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#grovertransencoder","category":"torch","models":["","Grover"],"layer_id":50},{"name":"GroverEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverembedding","category":"torch","models":["","Grover"],"layer_id":51},{"name":"GroverAtomVocabPredictor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groveratomvocabpredictor","category":"torch","models":["","Grover"],"layer_id":52},{"name":"GroverBondVocabPredictor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverbondvocabpredictor","category":"torch","models":["","Grover"],"layer_id":53},{"name":"GroverFunctionalGroupPredictor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverfunctionalgrouppredictor","category":"torch","models":["","Grover"],"layer_id":54},{"name":"ScaledDotProductAttention","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#scaleddotproductattention","category":"torch","models":["","Transformer"],"layer_id":55},{"name":"SelfAttention","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#selfattention","category":"torch","models":["","Transformer"],"layer_id":56},{"name":"GroverReadout","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverreadout","category":"torch","models":["","Grover"],"layer_id":57},{"name":"DFTXC","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dftxc","category":"torch","models":["","XCModel-DFT"],"layer_id":58},{"name":"NNLDA","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#nnlda","category":"torch","models":["","XCModel-DFT"],"layer_id":59},{"name":"HybridXC","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#hybridxc","category":"torch","models":["","XCModel-DFT"],"layer_id":60},{"name":"XCNNSCF","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#xcnnscf","category":"torch","models":["","XCModel-DFT"],"layer_id":61},{"name":"AtomEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#atomencoder","category":"torch","models":["","3D","InfoMax"],"layer_id":62},{"name":"BondEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#bondencoder","category":"torch","models":["","3D","InfoMax"],"layer_id":63},{"name":"Net3DLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#net3dlayer","category":"torch","models":["","3D","InfoMax"],"layer_id":64},{"name":"Net3D","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#net3d","category":"torch","models":["","3D","InfoMax"],"layer_id":65},{"name":"PNALayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#pnalayer","category":"torch","models":["","Principal","Neighbourhood","Aggregation"],"layer_id":66},{"name":"PNAGNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#pnagnn","category":"torch","models":["","Principal","Neighbourhood","Aggregation"],"layer_id":67},{"name":"EdgeNetwork","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#edgenetwork","category":"torch","models":["","Message","Passing","Neural","Network"],"layer_id":68},{"name":"WeaveLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavelayer","category":"torch","models":["","WeaveModel"],"layer_id":69},{"name":"WeaveGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavegather","category":"torch","models":["","WeaveModel"],"layer_id":70},{"name":"GradientPenalty","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#gradientpenalty","category":"torch","models":["","WGANModel"],"layer_id":71},{"name":"MolGANConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganconvolutionlayer","category":"torch","models":["","MolGan"],"layer_id":72},{"name":"MolGANAggregationLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganaggregationlayer","category":"torch","models":["","MolGan"],"layer_id":73},{"name":"MolGANMultiConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganmulticonvolutionlayer","category":"torch","models":["","MolGan"],"layer_id":74},{"name":"MolGANEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganencoderlayer","category":"torch","models":["","MolGan"],"layer_id":75},{"name":"DTNNEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnembedding","category":"torch","models":["","DTNNModel"],"layer_id":76},{"name":"DTNNStep","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnstep","category":"torch","models":["","DTNNModel"],"layer_id":77},{"name":"DTNNGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnngather","category":"torch","models":["","DTNNModel"],"layer_id":78},{"name":"MXMNetGlobalMessagePassing","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetglobalmessagepassing","category":"torch","models":["","MXMNetModel"],"layer_id":79},{"name":"MXMNetBesselBasisLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetbesselbasislayer","category":"torch","models":["","MXMNetModel"],"layer_id":80},{"name":"VariationalRandomizer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#variationalrandomizer","category":"torch","models":["","SeqToSeqModel"],"layer_id":81},{"name":"EncoderRNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#encoderrnn","category":"torch","models":["","SeqToSeqModel"],"layer_id":82},{"name":"DecoderRNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#decoderrnn","category":"torch","models":["","SeqToSeqModel"],"layer_id":83},{"name":"FerminetElectronFeature","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#ferminetelectronfeature","category":"torch","models":["","FerminetModel"],"layer_id":84},{"name":"FerminetEnvelope","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#ferminetenvelope","category":"torch","models":["","FerminetModel"],"layer_id":85},{"name":"MXMNetLocalMessagePassing","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetlocalmessagepassing","category":"torch","models":["","MXMNetModel"],"layer_id":86},{"name":"MXMNetModelMXMNetSphericalBasisLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetmodelmxmnetsphericalbasislayer","category":"torch","models":["","MXMNetModel"],"layer_id":87},{"name":"HighwayLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#highwaylayer","category":"torch","models":[],"layer_id":88},{"name":"GraphConv","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphconv","category":"torch","models":[],"layer_id":89},{"name":"GraphPool","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphpool","category":"torch","models":[],"layer_id":90},{"name":"GraphGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphgather","category":"torch","models":[],"layer_id":91},{"name":"IRVLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#irvlayer","category":"torch","models":[],"layer_id":92}]'),y=JSON.parse('["Transformer","Message","WeaveModel","DTNNModel","Neural","MessagePassing","Neighbourhood","FerminetModel","WGANModel","Molecular","Network","SeqToSeqModel","Sluice","Principal","InfoMax","Passing","MXMNetModel","Normalizing","Flow","Grover","XCModel-DFT","Aggregation","3D","Attention","MolGan"]'),g=t(2584);let A=()=>{let[e,r]=(0,l.useState)(p),[t,o]=(0,l.useState)([]),[d,n]=(0,l.useState)(!1),c=(e,r)=>{"models"===e&&(t.includes(r)?o(t.filter(e=>e!==r)):o([...t,r]))},i=()=>{n(!d)};return(0,l.useEffect)(()=>{let e=[];0===t.length?e=p:p.map(r=>{let a=1;t.map(e=>{r.models.includes(e)||(a=0)}),1==a&&e.push(r)}),r(e)},[t]),(0,l.useEffect)(()=>{window.addEventListener("resize",()=>{window.innerWidth>1024&&n(!1)})},[]),(0,a.jsxs)("div",{className:"layers",children:[(0,a.jsx)("div",{className:"".concat(d?"flex":"hidden"," fixed bg-dc-gray/80 w-full h-[100vh] top-0 lg:hidden"),onClick:i}),(0,a.jsxs)("div",{className:"flex flex-col items-start w-full px-[25px] 2xl:px-[300px] py-8 lg:py-16 gap-6",children:[(0,a.jsxs)("div",{className:"flex flex-row w-[100%] items-center justify-between py-2.5",children:[(0,a.jsx)("div",{className:"lg:text-4xl text-[26px]",children:"Our Layers"}),(0,a.jsx)("div",{className:"lg:hidden",children:(0,a.jsx)("button",{className:"min-w-0",onClick:i,children:(0,a.jsx)(s(),{src:g.Z,alt:"Filter Button",width:18})})})]}),(0,a.jsxs)("div",{className:"flex flex-row items-start gap-12 w-full",children:[(0,a.jsx)("div",{className:"".concat(d?"fixed flex left-1/2 top-1/2 -translate-x-1/2 -translate-y-1/2 px-8 py-6 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] w-[89%] overflow-y-auto h-[85vh]":"hidden"," lg:flex lg:relative lg:left-0 lg:top-0 lg:translate-x-0 lg:translate-y-0 lg:shadow-none lg:rounded-none flex-col items-start gap-5 lg:min-w-[240px] lg:max-w-[240px] lg:border-r-2 lg:py-0 lg:pl-0 pr-4 lg:border-dc-light-gray"),children:(0,a.jsxs)("div",{className:"category-filter",children:[(0,a.jsx)("div",{className:"category-text-filter",children:"Model"}),(0,a.jsx)("div",{className:"btn-container-filter",children:y.map((e,r)=>(0,a.jsx)("div",{children:(0,a.jsx)("button",{className:"rmv-filter",onClick(){c("models",e)},children:(0,a.jsx)(m.Z,{category:t,name:e,image:null})})},"feat-".concat(r)))})]})}),(0,a.jsx)("div",{className:"items-start ".concat(e.length?"gap-8 justify-center layer-container":""," w-full"),children:e.length?e.map(e=>(0,a.jsx)(h,{layer:e},e.id)):(0,a.jsxs)("div",{className:"w-full mt-[5vh] flex items-center flex-col flex-grow",children:[(0,a.jsx)("i",{className:"fa-solid fa-triangle-exclamation text-7xl text-dc-gray/10 mb-2"}),(0,a.jsx)("p",{className:"text-dc-gray/60",children:"No such layers exist!"})]})})]})]})]})};var u=A}},function(e){e.O(0,[9774,2888,179],function(){return e(e.s=9623)}),_N_E=e.O()}]); \ No newline at end of file +(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[8655],{9623:function(e,r,t){(window.__NEXT_P=window.__NEXT_P||[]).push(["/layers",function(){return t(1998)}])},2584:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-filter.16ad9edc.png",height:17,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAp0lEQVR42j2NPQrCQBBGt9BTiJDdmRVsBRtBBAtBCxUEO7EQDQbttRGbJGcQr5aTpIlPyO7C45uf5Y1RdTMVO/HiKhV3V5UxuWG+IueG5QOu0MAHzqq2gBLeJjyRJAn10PlOXKC6oMraRGtzztXUezgYL/aEKmvVa7KAGnb0x2gaiLOh7muvGxdonvxO0Tbkl1Mps5wsydf/xFQBKrjRj1BvqZeqdvEDWxYrcbIA//MAAAAASUVORK5CYII=",blurWidth:8,blurHeight:8}},4879:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-keras.077fc73f.png",height:17,width:17,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAMAAADz0U65AAAAclBMVEXOAADPAADQAADPAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADPAADPAADPAADQAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADQAADPAADQAADQAADQAADPAADPAADPAADQAADPAAACUe62AAAAJHRSTlMwV15jbnV2g4aJoqeoq6ywsb/Fx8nJy8zN0ODj5ejq6/D0+fpLvDFJAAAARklEQVR42g3KxQGAMBAEwMUdgkU4nE3/LZJ5D5Q2kzGuxMmbz84B8uZHtPgWwgSjZw/xcVGRHeRLmdVsQr7ILWSl7bxaV/7Q0gXFT+mJbQAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8}},9581:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-pytorch.9402b6f6.png",height:17,width:14,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAcAAAAICAYAAAA1BOUGAAAApUlEQVR42k2NoQ5CMQxFS/IwaAQSRcK6D3gEwkuQ7RI+Ao/jD5BoNAqDxvIcGoPhG7Z+A3fZSFhy0/bc9ZYs8JDwUFtoU/smqh9QGXxrym9Tt4rKIbNq8BLGx8Qt8hyF12Aagx9RUn7C6GpCPpHZJanfA3BfNnwD+DO30JVS4BeaKdj/qSN0Ihg7qEdMZ+Jn6A8wHibzMZUYJ4A3fLijnk3chIjoCwm7R+kV98+mAAAAAElFTkSuQmCC",blurWidth:7,blurHeight:8}},4283:function(e,r,t){"use strict";t.d(r,{Z:function(){return n}});var a=t(5893),l=t(5675),o=t.n(l),s={src:"/deepchem.github.io//_next/static/media/deepchem-cross.b0857477.png",height:18,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAQAAABuBnYAAAAAa0lEQVR42iWIwQnEMBADZTfgYpLCjAvzZx/Gbdz74DjySaSQCgKbhTAgNAPgTqocnGpbRmhWpyugs3uCWpxVRjvWyBWc8tCyl1jnAIectpfrDROsdC0y2bnI1fBJ7PIX9l8G8M9snBys3wQ85+xZh3uo3w8AAAAASUVORK5CYII=",blurWidth:8,blurHeight:8};let d=e=>{let{category:r,name:t,image:l}=e,d=t.replace(/Featurizer$/g,"");return(0,a.jsx)(a.Fragment,{children:(0,a.jsxs)("div",{className:"".concat(r.includes(t)?"btn-selected-filter":"btn-filter"),title:t,children:[l?(0,a.jsx)(o(),{src:r.includes(t)?s:l,alt:t,width:14}):r.includes(t)&&(0,a.jsx)(o(),{src:s,alt:t,width:14}),(0,a.jsx)("p",{className:"".concat(r.includes(t)?"btn-text-selected-filter":"btn-text-filter"),children:d.length>20?d.substring(0,20)+"...":d})]})})};var n=d},1998:function(e,r,t){"use strict";t.r(r),t.d(r,{default:function(){return u}});var a=t(5893),l=t(7294),o=t(5675),s=t.n(o),d=t(1664),n=t.n(d),c=t(9581),i=t(4879);let h=e=>{let{layer:r}=e,t=r.models.length?r.models.join(", "):"N/A";return t=t+" "+"\xa0".repeat(300),(0,a.jsx)(a.Fragment,{children:(0,a.jsx)(n(),{href:r.url,target:"_blank",children:(0,a.jsxs)("div",{className:"flex flex-col gap-4 py-4 px-5 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] layer-card hover:scale-[1.03] transition-all",children:[(0,a.jsx)("div",{className:"flex flex-row justify-between w-full gap-8 items-start",children:(0,a.jsx)("div",{className:"text-xl font-medium text-dc-orange",children:(0,r.name).replaceAll(/([A-Z]+)/g," $1").replace(/([^ ])(Layer)/,"$1 Layer")})}),(0,a.jsxs)("div",{className:"flex flex-row justify-center items-center gap-2.5 w-fit",children:["torch"===r.category&&(0,a.jsx)(s(),{src:c.Z,alt:"PyTorch",width:16}),"keras"===r.category&&(0,a.jsx)(s(),{src:i.Z,alt:"Keras",width:16}),(0,a.jsx)("div",{className:"font-medium text-sm text-dc-gray",children:r.category})]}),(0,a.jsxs)("div",{className:"text-base font-medium text-dc-light-blue w-full mt-4 md:mt-auto",children:[(0,a.jsx)("p",{className:"text-dc-gray/60",children:"Acceptable Models"}),(0,a.jsx)("p",{className:"text-xs text-dc-gray font-medium break-all",children:t})]})]})})})};var m=t(4283),p=JSON.parse('[{"name":"InteratomicL2Distances","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#interatomicl2distances","category":"keras","models":[],"layer_id":0},{"name":"GraphConv","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphconv","category":"keras","models":[],"layer_id":1},{"name":"GraphPool","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphpool","category":"keras","models":[],"layer_id":2},{"name":"GraphGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphgather","category":"keras","models":[],"layer_id":3},{"name":"MolGANConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganconvolutionlayer","category":"keras","models":["","MolGan"],"layer_id":4},{"name":"MolGANAggregationLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganaggregationlayer","category":"keras","models":["","MolGan"],"layer_id":5},{"name":"MolGANMultiConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganmulticonvolutionlayer","category":"keras","models":["","MolGan"],"layer_id":6},{"name":"MolGANEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganencoderlayer","category":"keras","models":["","MolGan"],"layer_id":7},{"name":"LSTMStep","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#lstmstep","category":"keras","models":[],"layer_id":8},{"name":"AttnLSTMEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#attnlstmembedding","category":"keras","models":[],"layer_id":9},{"name":"IterRefLSTMEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#iterreflstmembedding","category":"keras","models":[],"layer_id":10},{"name":"SwitchedDropout","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#switcheddropout","category":"keras","models":[],"layer_id":11},{"name":"WeightedLinearCombo","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weightedlinearcombo","category":"keras","models":[],"layer_id":12},{"name":"CombineMeanSt","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#combinemeanst","category":"keras","models":[],"layer_id":13},{"name":"Stack","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#stack","category":"keras","models":[],"layer_id":14},{"name":"VinaFreeEnergy","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#vinafreeenergy","category":"keras","models":[],"layer_id":15},{"name":"NeighborList","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#neighborlist","category":"keras","models":[],"layer_id":16},{"name":"AtomicConvolution","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#atomicconvolution","category":"keras","models":[],"layer_id":17},{"name":"AlphaShareLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#alphasharelayer","category":"keras","models":["","Sluice","Network"],"layer_id":18},{"name":"SluiceLoss","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#sluiceloss","category":"keras","models":["","Sluice","Network"],"layer_id":19},{"name":"BetaShare","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#betashare","category":"keras","models":["","Sluice","Network"],"layer_id":20},{"name":"ANIFeat","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#anifeat","category":"keras","models":[],"layer_id":21},{"name":"GraphEmbedPoolLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphembedpoollayer","category":"keras","models":[],"layer_id":22},{"name":"Highway","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#highway","category":"keras","models":[],"layer_id":23},{"name":"WeaveLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavelayer","category":"keras","models":[],"layer_id":24},{"name":"WeaveGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavegather","category":"keras","models":[],"layer_id":25},{"name":"DTNNEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnembedding","category":"keras","models":[],"layer_id":26},{"name":"DTNNStep","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnstep","category":"keras","models":[],"layer_id":27},{"name":"DTNNGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnngather","category":"keras","models":[],"layer_id":28},{"name":"DAGLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#daglayer","category":"keras","models":[],"layer_id":29},{"name":"DAGGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#daggather","category":"keras","models":[],"layer_id":30},{"name":"MessagePassing","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#messagepassing","category":"keras","models":[],"layer_id":31},{"name":"EdgeNetwork","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#edgenetwork","category":"keras","models":["","MessagePassing"],"layer_id":32},{"name":"GatedRecurrentUnit","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#gatedrecurrentunit","category":"keras","models":["","MessagePassing"],"layer_id":33},{"name":"SetGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#setgather","category":"keras","models":[],"layer_id":34},{"name":"MultilayerPerceptron","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#multilayerperceptron","category":"torch","models":[],"layer_id":35},{"name":"ScaleNorm","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#scalenorm","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":36},{"name":"MATEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#matencoderlayer","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":37},{"name":"MultiHeadedMATAttention","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#multiheadedmatattention","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":38},{"name":"SublayerConnection","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#sublayerconnection","category":"torch","models":["","Transformer"],"layer_id":39},{"name":"MATEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#matembedding","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":40},{"name":"MATGenerator","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#matgenerator","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":41},{"name":"Affine","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#affine","category":"torch","models":["","Normalizing","Flow"],"layer_id":42},{"name":"RealNVPLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#realnvplayer","category":"torch","models":["","Normalizing","Flow"],"layer_id":43},{"name":"DMPNNEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dmpnnencoderlayer","category":"torch","models":["","Normalizing","Flow"],"layer_id":44},{"name":"PositionwiseFeedForward","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#positionwisefeedforward","category":"torch","models":["","Molecular","Attention","Transformer"],"layer_id":45},{"name":"GraphPool","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphpool","category":"torch","models":[],"layer_id":46},{"name":"GroverMPNEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#grovermpnencoder","category":"torch","models":["","Grover"],"layer_id":47},{"name":"GroverAttentionHead","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverattentionhead","category":"torch","models":["","Grover"],"layer_id":48},{"name":"GroverMTBlock","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#grovermtblock","category":"torch","models":["","Grover"],"layer_id":49},{"name":"GroverTransEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#grovertransencoder","category":"torch","models":["","Grover"],"layer_id":50},{"name":"GroverEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverembedding","category":"torch","models":["","Grover"],"layer_id":51},{"name":"GroverAtomVocabPredictor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groveratomvocabpredictor","category":"torch","models":["","Grover"],"layer_id":52},{"name":"GroverBondVocabPredictor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverbondvocabpredictor","category":"torch","models":["","Grover"],"layer_id":53},{"name":"GroverFunctionalGroupPredictor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverfunctionalgrouppredictor","category":"torch","models":["","Grover"],"layer_id":54},{"name":"ScaledDotProductAttention","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#scaleddotproductattention","category":"torch","models":["","Transformer"],"layer_id":55},{"name":"SelfAttention","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#selfattention","category":"torch","models":["","Transformer"],"layer_id":56},{"name":"GroverReadout","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#groverreadout","category":"torch","models":["","Grover"],"layer_id":57},{"name":"DFTXC","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dftxc","category":"torch","models":["","XCModel-DFT"],"layer_id":58},{"name":"NNLDA","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#nnlda","category":"torch","models":["","XCModel-DFT"],"layer_id":59},{"name":"HybridXC","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#hybridxc","category":"torch","models":["","XCModel-DFT"],"layer_id":60},{"name":"XCNNSCF","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#xcnnscf","category":"torch","models":["","XCModel-DFT"],"layer_id":61},{"name":"AtomEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#atomencoder","category":"torch","models":["","3D","InfoMax"],"layer_id":62},{"name":"BondEncoder","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#bondencoder","category":"torch","models":["","3D","InfoMax"],"layer_id":63},{"name":"Net3DLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#net3dlayer","category":"torch","models":["","3D","InfoMax"],"layer_id":64},{"name":"Net3D","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#net3d","category":"torch","models":["","3D","InfoMax"],"layer_id":65},{"name":"PNALayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#pnalayer","category":"torch","models":["","Principal","Neighbourhood","Aggregation"],"layer_id":66},{"name":"PNAGNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#pnagnn","category":"torch","models":["","Principal","Neighbourhood","Aggregation"],"layer_id":67},{"name":"EdgeNetwork","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#edgenetwork","category":"torch","models":["","Message","Passing","Neural","Network"],"layer_id":68},{"name":"WeaveLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavelayer","category":"torch","models":["","WeaveModel"],"layer_id":69},{"name":"WeaveGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#weavegather","category":"torch","models":["","WeaveModel"],"layer_id":70},{"name":"GradientPenalty","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#gradientpenalty","category":"torch","models":["","WGANModel"],"layer_id":71},{"name":"MolGANConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganconvolutionlayer","category":"torch","models":["","MolGan"],"layer_id":72},{"name":"MolGANAggregationLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganaggregationlayer","category":"torch","models":["","MolGan"],"layer_id":73},{"name":"MolGANMultiConvolutionLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganmulticonvolutionlayer","category":"torch","models":["","MolGan"],"layer_id":74},{"name":"MolGANEncoderLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#molganencoderlayer","category":"torch","models":["","MolGan"],"layer_id":75},{"name":"DTNNEmbedding","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnembedding","category":"torch","models":["","DTNNModel"],"layer_id":76},{"name":"DTNNStep","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnnstep","category":"torch","models":["","DTNNModel"],"layer_id":77},{"name":"DTNNGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#dtnngather","category":"torch","models":["","DTNNModel"],"layer_id":78},{"name":"MXMNetGlobalMessagePassing","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetglobalmessagepassing","category":"torch","models":["","MXMNetModel"],"layer_id":79},{"name":"MXMNetBesselBasisLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetbesselbasislayer","category":"torch","models":["","MXMNetModel"],"layer_id":80},{"name":"VariationalRandomizer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#variationalrandomizer","category":"torch","models":["","SeqToSeqModel"],"layer_id":81},{"name":"EncoderRNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#encoderrnn","category":"torch","models":["","SeqToSeqModel"],"layer_id":82},{"name":"DecoderRNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#decoderrnn","category":"torch","models":["","SeqToSeqModel"],"layer_id":83},{"name":"FerminetElectronFeature","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#ferminetelectronfeature","category":"torch","models":["","FerminetModel"],"layer_id":84},{"name":"FerminetEnvelope","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#ferminetenvelope","category":"torch","models":["","FerminetModel"],"layer_id":85},{"name":"MXMNetLocalMessagePassing","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetlocalmessagepassing","category":"torch","models":["","MXMNetModel"],"layer_id":86},{"name":"MXMNetModelMXMNetSphericalBasisLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#mxmnetmodelmxmnetsphericalbasislayer","category":"torch","models":["","MXMNetModel"],"layer_id":87},{"name":"HighwayLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#highwaylayer","category":"torch","models":[],"layer_id":88},{"name":"GraphConv","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphconv","category":"torch","models":[],"layer_id":89},{"name":"GraphPool","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphpool","category":"torch","models":[],"layer_id":90},{"name":"GraphGather","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#graphgather","category":"torch","models":[],"layer_id":91},{"name":"IRVLayer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/layers.html#irvlayer","category":"torch","models":[],"layer_id":92}]'),y=JSON.parse('["Normalizing","Passing","Neighbourhood","Attention","FerminetModel","Network","Grover","Molecular","Message","XCModel-DFT","MessagePassing","3D","Aggregation","Transformer","Sluice","Flow","WeaveModel","SeqToSeqModel","DTNNModel","MolGan","InfoMax","WGANModel","Neural","MXMNetModel","Principal"]'),g=t(2584);let A=()=>{let[e,r]=(0,l.useState)(p),[t,o]=(0,l.useState)([]),[d,n]=(0,l.useState)(!1),c=(e,r)=>{"models"===e&&(t.includes(r)?o(t.filter(e=>e!==r)):o([...t,r]))},i=()=>{n(!d)};return(0,l.useEffect)(()=>{let e=[];0===t.length?e=p:p.map(r=>{let a=1;t.map(e=>{r.models.includes(e)||(a=0)}),1==a&&e.push(r)}),r(e)},[t]),(0,l.useEffect)(()=>{window.addEventListener("resize",()=>{window.innerWidth>1024&&n(!1)})},[]),(0,a.jsxs)("div",{className:"layers",children:[(0,a.jsx)("div",{className:"".concat(d?"flex":"hidden"," fixed bg-dc-gray/80 w-full h-[100vh] top-0 lg:hidden"),onClick:i}),(0,a.jsxs)("div",{className:"flex flex-col items-start w-full px-[25px] 2xl:px-[300px] py-8 lg:py-16 gap-6",children:[(0,a.jsxs)("div",{className:"flex flex-row w-[100%] items-center justify-between py-2.5",children:[(0,a.jsx)("div",{className:"lg:text-4xl text-[26px]",children:"Our Layers"}),(0,a.jsx)("div",{className:"lg:hidden",children:(0,a.jsx)("button",{className:"min-w-0",onClick:i,children:(0,a.jsx)(s(),{src:g.Z,alt:"Filter Button",width:18})})})]}),(0,a.jsxs)("div",{className:"flex flex-row items-start gap-12 w-full",children:[(0,a.jsx)("div",{className:"".concat(d?"fixed flex left-1/2 top-1/2 -translate-x-1/2 -translate-y-1/2 px-8 py-6 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] w-[89%] overflow-y-auto h-[85vh]":"hidden"," lg:flex lg:relative lg:left-0 lg:top-0 lg:translate-x-0 lg:translate-y-0 lg:shadow-none lg:rounded-none flex-col items-start gap-5 lg:min-w-[240px] lg:max-w-[240px] lg:border-r-2 lg:py-0 lg:pl-0 pr-4 lg:border-dc-light-gray"),children:(0,a.jsxs)("div",{className:"category-filter",children:[(0,a.jsx)("div",{className:"category-text-filter",children:"Model"}),(0,a.jsx)("div",{className:"btn-container-filter",children:y.map((e,r)=>(0,a.jsx)("div",{children:(0,a.jsx)("button",{className:"rmv-filter",onClick(){c("models",e)},children:(0,a.jsx)(m.Z,{category:t,name:e,image:null})})},"feat-".concat(r)))})]})}),(0,a.jsx)("div",{className:"items-start ".concat(e.length?"gap-8 justify-center layer-container":""," w-full"),children:e.length?e.map(e=>(0,a.jsx)(h,{layer:e},e.id)):(0,a.jsxs)("div",{className:"w-full mt-[5vh] flex items-center flex-col flex-grow",children:[(0,a.jsx)("i",{className:"fa-solid fa-triangle-exclamation text-7xl text-dc-gray/10 mb-2"}),(0,a.jsx)("p",{className:"text-dc-gray/60",children:"No such layers exist!"})]})})]})]})]})};var u=A}},function(e){e.O(0,[9774,2888,179],function(){return e(e.s=9623)}),_N_E=e.O()}]); \ No newline at end of file diff --git a/_next/static/chunks/pages/models-3a66639ee7bd2da4.js b/_next/static/chunks/pages/models-080633e62947c1f1.js similarity index 96% rename from _next/static/chunks/pages/models-3a66639ee7bd2da4.js rename to _next/static/chunks/pages/models-080633e62947c1f1.js index 2051d16d..94d5c0e6 100644 --- a/_next/static/chunks/pages/models-3a66639ee7bd2da4.js +++ b/_next/static/chunks/pages/models-080633e62947c1f1.js @@ -1 +1 @@ -(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[8495],{9096:function(e,r,t){(window.__NEXT_P=window.__NEXT_P||[]).push(["/models",function(){return t(9403)}])},2584:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-filter.16ad9edc.png",height:17,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAp0lEQVR42j2NPQrCQBBGt9BTiJDdmRVsBRtBBAtBCxUEO7EQDQbttRGbJGcQr5aTpIlPyO7C45uf5Y1RdTMVO/HiKhV3V5UxuWG+IueG5QOu0MAHzqq2gBLeJjyRJAn10PlOXKC6oMraRGtzztXUezgYL/aEKmvVa7KAGnb0x2gaiLOh7muvGxdonvxO0Tbkl1Mps5wsydf/xFQBKrjRj1BvqZeqdvEDWxYrcbIA//MAAAAASUVORK5CYII=",blurWidth:8,blurHeight:8}},4879:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-keras.077fc73f.png",height:17,width:17,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAMAAADz0U65AAAAclBMVEXOAADPAADQAADPAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADPAADPAADPAADQAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADQAADPAADQAADQAADQAADPAADPAADPAADQAADPAAACUe62AAAAJHRSTlMwV15jbnV2g4aJoqeoq6ywsb/Fx8nJy8zN0ODj5ejq6/D0+fpLvDFJAAAARklEQVR42g3KxQGAMBAEwMUdgkU4nE3/LZJ5D5Q2kzGuxMmbz84B8uZHtPgWwgSjZw/xcVGRHeRLmdVsQr7ILWSl7bxaV/7Q0gXFT+mJbQAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8}},9581:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-pytorch.9402b6f6.png",height:17,width:14,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAcAAAAICAYAAAA1BOUGAAAApUlEQVR42k2NoQ5CMQxFS/IwaAQSRcK6D3gEwkuQ7RI+Ao/jD5BoNAqDxvIcGoPhG7Z+A3fZSFhy0/bc9ZYs8JDwUFtoU/smqh9QGXxrym9Tt4rKIbNq8BLGx8Qt8hyF12Aagx9RUn7C6GpCPpHZJanfA3BfNnwD+DO30JVS4BeaKdj/qSN0Ihg7qEdMZ+Jn6A8wHibzMZUYJ4A3fLijnk3chIjoCwm7R+kV98+mAAAAAElFTkSuQmCC",blurWidth:7,blurHeight:8}},4283:function(e,r,t){"use strict";t.d(r,{Z:function(){return d}});var s=t(5893),a=t(5675),i=t.n(a),l={src:"/deepchem.github.io//_next/static/media/deepchem-cross.b0857477.png",height:18,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAQAAABuBnYAAAAAa0lEQVR42iWIwQnEMBADZTfgYpLCjAvzZx/Gbdz74DjySaSQCgKbhTAgNAPgTqocnGpbRmhWpyugs3uCWpxVRjvWyBWc8tCyl1jnAIectpfrDROsdC0y2bnI1fBJ7PIX9l8G8M9snBys3wQ85+xZh3uo3w8AAAAASUVORK5CYII=",blurWidth:8,blurHeight:8};let o=e=>{let{category:r,name:t,image:a}=e,o=t.replace(/Featurizer$/g,"");return(0,s.jsx)(s.Fragment,{children:(0,s.jsxs)("div",{className:"".concat(r.includes(t)?"btn-selected-filter":"btn-filter"),title:t,children:[a?(0,s.jsx)(i(),{src:r.includes(t)?l:a,alt:t,width:14}):r.includes(t)&&(0,s.jsx)(i(),{src:l,alt:t,width:14}),(0,s.jsx)("p",{className:"".concat(r.includes(t)?"btn-text-selected-filter":"btn-text-filter"),children:o.length>20?o.substring(0,20)+"...":o})]})})};var d=o},9403:function(e,r,t){"use strict";t.r(r),t.d(r,{default:function(){return R}});var s=t(5893),a=t(7294),i=t(5675),l=t.n(i),o=t(1664),d=t.n(o),c=t(9581),n=t(4879),m={src:"/deepchem.github.io//_next/static/media/deepchem-classifier.2b9a4f6e.png",height:15,width:15,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAsUlEQVR42k2Luw4BYRCFxzYSmi1IFCT/3BRCoZSoVqncUG68gQcgQbGJhigoFNvxDF7PifybOMk3l3NmiCDl0CDIldegGpqkcU/IUOKSY965hAzzBUcdImjE+vtG+BIO/TifwIpquWkKYwveLlygf8xk7EGbCGXpKmdXLhEswMOM56byhHcklA3MKygQ5KACM/gHeDeadHuJG09VQ9vwDUpXKVwGLRwy/ctM9uCOo6z2vlgSJVtdwzbdAAAAAElFTkSuQmCC",blurWidth:8,blurHeight:8},h={src:"/deepchem.github.io//_next/static/media/deepchem-regressor.ed1373be.png",height:15,width:16,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAo0lEQVR42l2OsQrCQBBEL2pnY6FtvN3ZxUKwjE2+wl4QW7HyAwQLGxGMdmrvbzrHJU0GpnjszjAhyQ2FqwwMMkxsZlODng1xExwoQk8GqekHfckN8DETRyaq3BhnPH7IaBOaEi/6nRjQlUF3oZNrXPD4pE88HNr6OiRB4oRwd9UyD5SG/HPItht0pb+AVJnjknwzlXX3sKcbh0poNUc5yuO1+AOc8h+u3PqVYAAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8},g={src:"/deepchem.github.io//_next/static/media/deepchem-material.abb24aee.png",height:16,width:16,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAArElEQVR42i2OzwqBURDF5xksbXx35nw2vIRSFoSV8gjKn0hkZWGBraWUsmJh6/n84p7ur5nOPTONGZIi8aawLSOdqSeF18wQxh3jBh0p9ak7WMKV0N1onvI0Ivihv2D2qHPCY3hbKV8YqntR4WNF4BBRVP/bfU4gbSwr5O1QalmWxB9TR8ui7wYYyhtOVvrvqLXcG6wfwoB7mhJe+D5PFg3MGcEHvGAiFU0zsy8pHij5QYGSBQAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8},u={src:"/deepchem.github.io//_next/static/media/deepchem-molecule.d14e457a.png",height:16,width:16,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAqUlEQVR42mVPsQ3CQAz8J6GgRKGgCPD22VmAhiUokViBmkHYJB0DUCJKhITEABQMEWwSlCKWTrZ157Md/qFCI88CPhrq5XQWWwIcFRRFOG8FdDK8uFIf6KMj14Y9cTn23geDMvKu2RjZGD5EadLvBj0UfFOhnYCfIvQWJAUw57LK3PZuuLh4seIcSIWJzgJ2tzoUIcTBLa2jC5p+FfknlP1qTlurrwI6fAH8PSKi0/42+wAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8};let p=e=>{let{model:r}=e,t=r.featurizers.length?r.featurizers.join(", "):"N/A";return t=t+" "+"\xa0".repeat(300),(0,s.jsx)(s.Fragment,{children:(0,s.jsx)(d(),{href:r.url,target:"_blank",children:(0,s.jsxs)("div",{className:"flex flex-col gap-4 py-4 px-5 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] model-card hover:scale-[1.03] transition-all",children:[(0,s.jsxs)("div",{className:"flex flex-row justify-between w-full gap-8 items-start",children:[(0,s.jsx)("div",{className:"text-xl font-medium text-dc-orange",children:(0,r.name).replaceAll(/([A-Z]+)/g," $1").replace(/([^ ])(Model)/,"$1 Model").replace(/([^ ])(Classifier)/,"$1 Classifier").replace(/( Classifier$)/,"").replace(/( Regressor$)/,"")}),(0,s.jsxs)("div",{className:"flex flex-row items-center gap-1.5 bg-dc-light-blue/5 px-2 py-1 rounded-md",children:["molecule"===r.category&&(0,s.jsx)(l(),{src:u,alt:"Molecule Logo",width:12}),"material"===r.category&&(0,s.jsx)(l(),{src:g,alt:"Material Logo",width:12}),(0,s.jsx)("div",{className:"font-medium text-sm text-dc-gray",children:r.category})]})]}),(0,s.jsxs)("div",{className:"flex justify-between flex-row",children:[(0,s.jsx)("div",{className:"flex flex-col gap-0.5",children:r.backends.map((e,r)=>(0,s.jsxs)("div",{className:"flex flex-row justify-center items-center gap-2.5 w-fit",children:["PyTorch"===e&&(0,s.jsx)(l(),{src:c.Z,alt:"PyTorch",width:16}),"Keras"===e&&(0,s.jsx)(l(),{src:n.Z,alt:"Keras",width:16}),(0,s.jsx)("div",{className:"text-base font-medium text-dc-light-blue",children:e})]},"m-back-".concat(r)))}),(0,s.jsx)("div",{className:"flex flex-col gap-0.5",children:r.types.map((e,r)=>(0,s.jsxs)("div",{className:"flex flex-row items-center px-3 gap-2.5 border-box bg-[rgba(235, 235, 235, 0.2)] border-l-4 border-solid border-dc-light-gray",children:["Classifier"===e&&(0,s.jsx)(l(),{src:m,alt:"",width:16}),"Regressor"===e&&(0,s.jsx)(l(),{src:h,alt:"",width:16}),(0,s.jsx)("div",{className:"text-base font-medium text-dc-gray",children:e})]},"m-type-".concat(r)))})]}),(0,s.jsxs)("div",{className:"text-base font-medium text-dc-light-blue w-full mt-4 md:mt-auto",children:[(0,s.jsx)("p",{className:"text-dc-gray/60",children:"Acceptable Featurizers"}),(0,s.jsx)("p",{className:"text-xs text-dc-gray font-medium break-all",children:t})]})]})})})};var A=t(4283),f=JSON.parse('[{"name":"CGCNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#cgcnnmodel","category":"material","featurizers":["CGCNNFEaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":0},{"name":"MEGNetModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#megnetmodel","category":"material","featurizers":[],"backends":["PyTorch","PyTorch Geometric"],"types":["Classifier","Regressor"],"model_id":1},{"name":"LCNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#lcnnmodel","category":"material","featurizers":["LCNNFeaturizer"],"backends":["PyTorch"],"types":["Regressor"],"model_id":2},{"name":"CNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#cnn","category":"general","featurizers":[],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":3},{"name":"MultitaskClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Classifier"],"model_id":4},{"name":"MultitaskFitTransformRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskfittransformregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Regressor"],"model_id":5},{"name":"MultitaskIRVClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskirvclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras","PyTorch"],"types":["Classifier"],"model_id":6},{"name":"MultitaskRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Regressor"],"model_id":7},{"name":"ProgressiveMultitaskClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#progressivemultitaskclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Classifier"],"model_id":8},{"name":"ProgressiveMultitaskRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#progressivemultitaskregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Regressor"],"model_id":9},{"name":"RobustMultitaskClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#robustmultitaskclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Classifier"],"model_id":10},{"name":"RobustMultitaskRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#robustmultitaskregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Regressor"],"model_id":11},{"name":"SeqToSeq","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#seqtoseq","category":"general","featurizers":[],"backends":["PyTorch"],"types":[""],"model_id":12},{"name":"WGAN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#wgan","category":"general","featurizers":[],"backends":["Keras"],"types":["Adversarial"],"model_id":13},{"name":"UNet","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#unet","category":"general","featurizers":[],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":14},{"name":"ScScoreModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#scscoremodel","category":"molecule","featurizers":["CircularFingerprint",""],"backends":["Keras"],"types":["Classifier"],"model_id":15},{"name":"AtomicConvModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#atomicconvmodel","category":"molecule","featurizers":["ComplexNeighborListFragmentAtomicCoordinates"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":16},{"name":"AttentiveFPModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#attentivefpmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":17},{"name":"ChemCeption","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#chemception","category":"molecule","featurizers":["SmilesToImage"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":18},{"name":"DAGModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#dagmodel","category":"molecule","featurizers":["ConvMolFeaturizer"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":19},{"name":"GATModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#gatmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":20},{"name":"GCNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#gcnmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":21},{"name":"GraphConvModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#graphconvmodel","category":"molecule","featurizers":["ConvMolFeaturizer"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":22},{"name":"MEGNetModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#megnetmodel","category":"molecule","featurizers":[],"backends":["PyTorch","PyTorch Geometric"],"types":["Classifier","Regressor"],"model_id":23},{"name":"MPNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#mpnnmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":24},{"name":"PagtnModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#pagtnmodel","category":"molecule","featurizers":["PagtnMolGraphFeaturizer","MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":25},{"name":"TextCNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#textcnnmodel","category":"molecule","featurizers":[],"backends":["Keras","PyTorch"],"types":["Classifier","Regressor"],"model_id":26},{"name":"DTNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#dtnnmodel","category":"molecule","featurizers":["CoulombMatrix"],"backends":["PyTorch"],"types":["Regressor"],"model_id":27},{"name":"MATModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#matmodel","category":"molecule","featurizers":["MATFeaturizer"],"backends":["PyTorch"],"types":["Regressor"],"model_id":28},{"name":"WeaveModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#weavemodel","category":"molecule","featurizers":["WeaveFeaturizer"],"backends":["Keras"],"types":["Regressor"],"model_id":29},{"name":"DMPNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#dmpnnmodel","category":"molecule","featurizers":["DMPNNFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":30},{"name":"InfoGraph","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#infograph","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":31},{"name":"InfoGraphStar","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#infographstar","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":32},{"name":"GNNModular","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#gnnmodular","category":"molecule","featurizers":["SNAPFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":33},{"name":"InfoMax3DModular","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#infomax3dmodular","category":"molecule","featurizers":["RDKitConformerFeaturizer"],"backends":["PyTorch"],"types":["Unsupervised"],"model_id":34},{"name":"Chemberta","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#chemberta","category":"molecule","featurizers":["","RobertaTokenizer"],"backends":[" PyTorch"],"types":["Classifier","Regressor"],"model_id":35},{"name":"MoLFormer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#molformer","category":"molecule","featurizers":["","DummyFeaturizer"],"backends":[" PyTorch"],"types":["Classifier","Regressor"],"model_id":36},{"name":"ProgressiveMultitaskModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#progressivemultitaskmodel","category":"molecule","featurizers":["","CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":37}]'),x=JSON.parse('["Keras","PyTorch Geometric","PyTorch","DGL"," PyTorch"]'),y=JSON.parse('["Regressor","Classifier","Adversarial","Unsupervised"]'),b=JSON.parse('["DMPNNFeaturizer","SNAPFeaturizer","MolGraphConvFeaturizer","CircularFingerprint","CGCNNFEaturizer","RDKitDescriptors","MATFeaturizer","CoulombMatrix","ElementPropertyFingerprint","DummyFeaturizer","LCNNFeaturizer","WeaveFeaturizer","RDKitConformerFeaturizer","PagtnMolGraphFeaturizer","SmilesToImage","RdkitGridFeaturizer","ConvMolFeaturizer","ComplexNeighborListFragmentAtomicCoordinates","BindingPocketFeaturizer","CoulombMatrixEig","RobertaTokenizer"]'),C=t(2584);let k=()=>{let[e,r]=(0,a.useState)(f),[t,i]=(0,a.useState)([]),[o,d]=(0,a.useState)([]),[g,u]=(0,a.useState)([]),[k,R]=(0,a.useState)(!1),D=(e,r)=>{switch(e){case"backends":t.includes(r)?i(t.filter(e=>e!==r)):i([...t,r]);break;case"types":o.includes(r)?d(o.filter(e=>e!==r)):d([...o,r]);break;case"featurizers":g.includes(r)?u(g.filter(e=>e!==r)):u([...g,r]);break;case"clear":i([]),d([]),u([])}},N=()=>{R(!k)};return(0,a.useEffect)(()=>{let e=[];0===t.length&&0===o.length&&0===g.length?e=f:f.map(r=>{let s=1;t.map(e=>{r.backends.includes(e)||(s=0)}),o.map(e=>{r.types.includes(e)||(s=0)}),g.map(e=>{r.featurizers.includes(e)||(s=0)}),1==s&&e.push(r)}),r(e)},[t,o,g]),(0,a.useEffect)(()=>{window.addEventListener("resize",()=>{window.innerWidth>1024&&R(!1)})},[]),(0,s.jsxs)("div",{className:"models",children:[(0,s.jsx)("div",{className:"".concat(k?"flex":"hidden"," fixed bg-dc-gray/80 w-full h-[100vh] top-0 lg:hidden"),onClick:N}),(0,s.jsxs)("div",{className:"flex flex-col items-start w-full px-[25px] 2xl:px-[300px] py-8 lg:py-16 gap-6",children:[(0,s.jsxs)("div",{className:"flex flex-row w-[100%] items-center justify-between py-2.5",children:[(0,s.jsx)("div",{className:"lg:text-4xl text-[26px]",children:"Our Models"}),(0,s.jsx)("div",{className:"lg:hidden",children:(0,s.jsx)("button",{className:"min-w-0",onClick:N,children:(0,s.jsx)(l(),{src:C.Z,alt:"Filter Button",width:18})})})]}),(0,s.jsxs)("div",{className:"flex flex-row items-start gap-12 w-full",children:[(0,s.jsxs)("div",{className:"".concat(k?"fixed flex left-1/2 top-1/2 -translate-x-1/2 -translate-y-1/2 px-8 py-6 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] w-[89%] overflow-y-auto h-[85vh]":"hidden"," lg:flex lg:relative lg:left-0 lg:top-0 lg:translate-x-0 lg:translate-y-0 lg:shadow-none lg:rounded-none flex-col items-start gap-5 lg:min-w-[240px] lg:max-w-[240px] lg:border-r-2 lg:py-0 lg:pl-0 pr-4 lg:border-dc-light-gray"),children:[(0,s.jsxs)("div",{className:"category-filter w-full",children:[(0,s.jsxs)("div",{className:"flex flex-row justify-between w-full items-center gap-1",children:[(0,s.jsx)("div",{className:"category-text-filter",children:"Backend"}),(0,s.jsxs)("div",{className:"flex flex-row items-center gap-4",children:[(0,s.jsx)("div",{className:"block",children:(0,s.jsx)("button",{className:"text-dc-gray normal-case p-0",onClick(){D("clear",null)},children:"Clear All"})}),(0,s.jsx)("div",{className:"lg:hidden",children:(0,s.jsx)("button",{className:"min-w-0",onClick:N,children:(0,s.jsx)("i",{className:"fa fa-close text-dc-gray text-lg"})})})]})]}),(0,s.jsx)("div",{className:"btn-container-filter",children:x.map((e,r)=>(0,s.jsx)("div",{children:(0,s.jsx)("button",{className:"rmv-filter",onClick(){D("backends",e)},children:(0,s.jsx)(A.Z,{category:t,name:e,image:"PyTorch"==e?c.Z:"Keras"==e?n.Z:null})})},"backend-".concat(r)))})]}),(0,s.jsxs)("div",{className:"category-filter",children:[(0,s.jsx)("div",{className:"category-text-filter",children:"Type"}),(0,s.jsx)("div",{className:"btn-container-filter",children:y.map((e,r)=>(0,s.jsx)("div",{children:(0,s.jsx)("button",{className:"rmv-filter",onClick(){D("types",e)},children:(0,s.jsx)(A.Z,{category:o,name:e,image:"Classifier"==e?m:"Regressor"==e?h:null})})},"type-".concat(r)))})]}),(0,s.jsxs)("div",{className:"category-filter",children:[(0,s.jsx)("div",{className:"category-text-filter",children:"Featurizer"}),(0,s.jsx)("div",{className:"btn-container-filter",children:b.map((e,r)=>(0,s.jsx)("div",{children:(0,s.jsx)("button",{className:"rmv-filter",onClick(){D("featurizers",e)},children:(0,s.jsx)(A.Z,{category:g,name:e,image:null})})},"feat-".concat(r)))})]})]}),(0,s.jsx)("div",{className:"items-start ".concat(e.length?"gap-8 justify-center model-container":""," w-full"),children:e.length?e.map(e=>(0,s.jsx)(p,{model:e},e.id)):(0,s.jsxs)("div",{className:"w-full mt-[5vh] flex items-center flex-col flex-grow",children:[(0,s.jsx)("i",{className:"fa-solid fa-triangle-exclamation text-7xl text-dc-gray/10 mb-2"}),(0,s.jsx)("p",{className:"text-dc-gray/60",children:"No such models exist!"})]})})]})]})]})};var R=k}},function(e){e.O(0,[9774,2888,179],function(){return e(e.s=9096)}),_N_E=e.O()}]); \ No newline at end of file +(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[8495],{9096:function(e,r,t){(window.__NEXT_P=window.__NEXT_P||[]).push(["/models",function(){return t(9403)}])},2584:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-filter.16ad9edc.png",height:17,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAp0lEQVR42j2NPQrCQBBGt9BTiJDdmRVsBRtBBAtBCxUEO7EQDQbttRGbJGcQr5aTpIlPyO7C45uf5Y1RdTMVO/HiKhV3V5UxuWG+IueG5QOu0MAHzqq2gBLeJjyRJAn10PlOXKC6oMraRGtzztXUezgYL/aEKmvVa7KAGnb0x2gaiLOh7muvGxdonvxO0Tbkl1Mps5wsydf/xFQBKrjRj1BvqZeqdvEDWxYrcbIA//MAAAAASUVORK5CYII=",blurWidth:8,blurHeight:8}},4879:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-keras.077fc73f.png",height:17,width:17,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAMAAADz0U65AAAAclBMVEXOAADPAADQAADPAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADPAADPAADPAADQAADPAADPAADQAADPAADPAADPAADPAADPAADPAADPAADQAADPAADQAADQAADQAADPAADPAADPAADQAADPAAACUe62AAAAJHRSTlMwV15jbnV2g4aJoqeoq6ywsb/Fx8nJy8zN0ODj5ejq6/D0+fpLvDFJAAAARklEQVR42g3KxQGAMBAEwMUdgkU4nE3/LZJ5D5Q2kzGuxMmbz84B8uZHtPgWwgSjZw/xcVGRHeRLmdVsQr7ILWSl7bxaV/7Q0gXFT+mJbQAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8}},9581:function(e,r){"use strict";r.Z={src:"/deepchem.github.io//_next/static/media/deepchem-pytorch.9402b6f6.png",height:17,width:14,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAcAAAAICAYAAAA1BOUGAAAApUlEQVR42k2NoQ5CMQxFS/IwaAQSRcK6D3gEwkuQ7RI+Ao/jD5BoNAqDxvIcGoPhG7Z+A3fZSFhy0/bc9ZYs8JDwUFtoU/smqh9QGXxrym9Tt4rKIbNq8BLGx8Qt8hyF12Aagx9RUn7C6GpCPpHZJanfA3BfNnwD+DO30JVS4BeaKdj/qSN0Ihg7qEdMZ+Jn6A8wHibzMZUYJ4A3fLijnk3chIjoCwm7R+kV98+mAAAAAElFTkSuQmCC",blurWidth:7,blurHeight:8}},4283:function(e,r,t){"use strict";t.d(r,{Z:function(){return d}});var s=t(5893),a=t(5675),i=t.n(a),l={src:"/deepchem.github.io//_next/static/media/deepchem-cross.b0857477.png",height:18,width:18,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAQAAABuBnYAAAAAa0lEQVR42iWIwQnEMBADZTfgYpLCjAvzZx/Gbdz74DjySaSQCgKbhTAgNAPgTqocnGpbRmhWpyugs3uCWpxVRjvWyBWc8tCyl1jnAIectpfrDROsdC0y2bnI1fBJ7PIX9l8G8M9snBys3wQ85+xZh3uo3w8AAAAASUVORK5CYII=",blurWidth:8,blurHeight:8};let o=e=>{let{category:r,name:t,image:a}=e,o=t.replace(/Featurizer$/g,"");return(0,s.jsx)(s.Fragment,{children:(0,s.jsxs)("div",{className:"".concat(r.includes(t)?"btn-selected-filter":"btn-filter"),title:t,children:[a?(0,s.jsx)(i(),{src:r.includes(t)?l:a,alt:t,width:14}):r.includes(t)&&(0,s.jsx)(i(),{src:l,alt:t,width:14}),(0,s.jsx)("p",{className:"".concat(r.includes(t)?"btn-text-selected-filter":"btn-text-filter"),children:o.length>20?o.substring(0,20)+"...":o})]})})};var d=o},9403:function(e,r,t){"use strict";t.r(r),t.d(r,{default:function(){return R}});var s=t(5893),a=t(7294),i=t(5675),l=t.n(i),o=t(1664),d=t.n(o),c=t(9581),n=t(4879),m={src:"/deepchem.github.io//_next/static/media/deepchem-classifier.2b9a4f6e.png",height:15,width:15,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAsUlEQVR42k2Luw4BYRCFxzYSmi1IFCT/3BRCoZSoVqncUG68gQcgQbGJhigoFNvxDF7PifybOMk3l3NmiCDl0CDIldegGpqkcU/IUOKSY965hAzzBUcdImjE+vtG+BIO/TifwIpquWkKYwveLlygf8xk7EGbCGXpKmdXLhEswMOM56byhHcklA3MKygQ5KACM/gHeDeadHuJG09VQ9vwDUpXKVwGLRwy/ctM9uCOo6z2vlgSJVtdwzbdAAAAAElFTkSuQmCC",blurWidth:8,blurHeight:8},h={src:"/deepchem.github.io//_next/static/media/deepchem-regressor.ed1373be.png",height:15,width:16,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAo0lEQVR42l2OsQrCQBBEL2pnY6FtvN3ZxUKwjE2+wl4QW7HyAwQLGxGMdmrvbzrHJU0GpnjszjAhyQ2FqwwMMkxsZlODng1xExwoQk8GqekHfckN8DETRyaq3BhnPH7IaBOaEi/6nRjQlUF3oZNrXPD4pE88HNr6OiRB4oRwd9UyD5SG/HPItht0pb+AVJnjknwzlXX3sKcbh0poNUc5yuO1+AOc8h+u3PqVYAAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8},g={src:"/deepchem.github.io//_next/static/media/deepchem-material.abb24aee.png",height:16,width:16,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAArElEQVR42i2OzwqBURDF5xksbXx35nw2vIRSFoSV8gjKn0hkZWGBraWUsmJh6/n84p7ur5nOPTONGZIi8aawLSOdqSeF18wQxh3jBh0p9ak7WMKV0N1onvI0Ivihv2D2qHPCY3hbKV8YqntR4WNF4BBRVP/bfU4gbSwr5O1QalmWxB9TR8ui7wYYyhtOVvrvqLXcG6wfwoB7mhJe+D5PFg3MGcEHvGAiFU0zsy8pHij5QYGSBQAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8},u={src:"/deepchem.github.io//_next/static/media/deepchem-molecule.d14e457a.png",height:16,width:16,blurDataURL:"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAgAAAAICAYAAADED76LAAAAqUlEQVR42mVPsQ3CQAz8J6GgRKGgCPD22VmAhiUokViBmkHYJB0DUCJKhITEABQMEWwSlCKWTrZ157Md/qFCI88CPhrq5XQWWwIcFRRFOG8FdDK8uFIf6KMj14Y9cTn23geDMvKu2RjZGD5EadLvBj0UfFOhnYCfIvQWJAUw57LK3PZuuLh4seIcSIWJzgJ2tzoUIcTBLa2jC5p+FfknlP1qTlurrwI6fAH8PSKi0/42+wAAAABJRU5ErkJggg==",blurWidth:8,blurHeight:8};let p=e=>{let{model:r}=e,t=r.featurizers.length?r.featurizers.join(", "):"N/A";return t=t+" "+"\xa0".repeat(300),(0,s.jsx)(s.Fragment,{children:(0,s.jsx)(d(),{href:r.url,target:"_blank",children:(0,s.jsxs)("div",{className:"flex flex-col gap-4 py-4 px-5 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] model-card hover:scale-[1.03] transition-all",children:[(0,s.jsxs)("div",{className:"flex flex-row justify-between w-full gap-8 items-start",children:[(0,s.jsx)("div",{className:"text-xl font-medium text-dc-orange",children:(0,r.name).replaceAll(/([A-Z]+)/g," $1").replace(/([^ ])(Model)/,"$1 Model").replace(/([^ ])(Classifier)/,"$1 Classifier").replace(/( Classifier$)/,"").replace(/( Regressor$)/,"")}),(0,s.jsxs)("div",{className:"flex flex-row items-center gap-1.5 bg-dc-light-blue/5 px-2 py-1 rounded-md",children:["molecule"===r.category&&(0,s.jsx)(l(),{src:u,alt:"Molecule Logo",width:12}),"material"===r.category&&(0,s.jsx)(l(),{src:g,alt:"Material Logo",width:12}),(0,s.jsx)("div",{className:"font-medium text-sm text-dc-gray",children:r.category})]})]}),(0,s.jsxs)("div",{className:"flex justify-between flex-row",children:[(0,s.jsx)("div",{className:"flex flex-col gap-0.5",children:r.backends.map((e,r)=>(0,s.jsxs)("div",{className:"flex flex-row justify-center items-center gap-2.5 w-fit",children:["PyTorch"===e&&(0,s.jsx)(l(),{src:c.Z,alt:"PyTorch",width:16}),"Keras"===e&&(0,s.jsx)(l(),{src:n.Z,alt:"Keras",width:16}),(0,s.jsx)("div",{className:"text-base font-medium text-dc-light-blue",children:e})]},"m-back-".concat(r)))}),(0,s.jsx)("div",{className:"flex flex-col gap-0.5",children:r.types.map((e,r)=>(0,s.jsxs)("div",{className:"flex flex-row items-center px-3 gap-2.5 border-box bg-[rgba(235, 235, 235, 0.2)] border-l-4 border-solid border-dc-light-gray",children:["Classifier"===e&&(0,s.jsx)(l(),{src:m,alt:"",width:16}),"Regressor"===e&&(0,s.jsx)(l(),{src:h,alt:"",width:16}),(0,s.jsx)("div",{className:"text-base font-medium text-dc-gray",children:e})]},"m-type-".concat(r)))})]}),(0,s.jsxs)("div",{className:"text-base font-medium text-dc-light-blue w-full mt-4 md:mt-auto",children:[(0,s.jsx)("p",{className:"text-dc-gray/60",children:"Acceptable Featurizers"}),(0,s.jsx)("p",{className:"text-xs text-dc-gray font-medium break-all",children:t})]})]})})})};var A=t(4283),f=JSON.parse('[{"name":"CGCNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#cgcnnmodel","category":"material","featurizers":["CGCNNFEaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":0},{"name":"MEGNetModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#megnetmodel","category":"material","featurizers":[],"backends":["PyTorch","PyTorch Geometric"],"types":["Classifier","Regressor"],"model_id":1},{"name":"LCNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#lcnnmodel","category":"material","featurizers":["LCNNFeaturizer"],"backends":["PyTorch"],"types":["Regressor"],"model_id":2},{"name":"CNN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#cnn","category":"general","featurizers":[],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":3},{"name":"MultitaskClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Classifier"],"model_id":4},{"name":"MultitaskFitTransformRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskfittransformregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Regressor"],"model_id":5},{"name":"MultitaskIRVClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskirvclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras","PyTorch"],"types":["Classifier"],"model_id":6},{"name":"MultitaskRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#multitaskregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Regressor"],"model_id":7},{"name":"ProgressiveMultitaskClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#progressivemultitaskclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Classifier"],"model_id":8},{"name":"ProgressiveMultitaskRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#progressivemultitaskregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Regressor"],"model_id":9},{"name":"RobustMultitaskClassifier","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#robustmultitaskclassifier","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Classifier"],"model_id":10},{"name":"RobustMultitaskRegressor","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#robustmultitaskregressor","category":"general","featurizers":["CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["Keras"],"types":["Regressor"],"model_id":11},{"name":"SeqToSeq","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#seqtoseq","category":"general","featurizers":[],"backends":["PyTorch"],"types":[""],"model_id":12},{"name":"WGAN","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#wgan","category":"general","featurizers":[],"backends":["Keras"],"types":["Adversarial"],"model_id":13},{"name":"UNet","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#unet","category":"general","featurizers":[],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":14},{"name":"ScScoreModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#scscoremodel","category":"molecule","featurizers":["CircularFingerprint",""],"backends":["Keras"],"types":["Classifier"],"model_id":15},{"name":"AtomicConvModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#atomicconvmodel","category":"molecule","featurizers":["ComplexNeighborListFragmentAtomicCoordinates"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":16},{"name":"AttentiveFPModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#attentivefpmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":17},{"name":"ChemCeption","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#chemception","category":"molecule","featurizers":["SmilesToImage"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":18},{"name":"DAGModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#dagmodel","category":"molecule","featurizers":["ConvMolFeaturizer"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":19},{"name":"GATModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#gatmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":20},{"name":"GCNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#gcnmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":21},{"name":"GraphConvModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#graphconvmodel","category":"molecule","featurizers":["ConvMolFeaturizer"],"backends":["Keras"],"types":["Classifier","Regressor"],"model_id":22},{"name":"MEGNetModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#megnetmodel","category":"molecule","featurizers":[],"backends":["PyTorch","PyTorch Geometric"],"types":["Classifier","Regressor"],"model_id":23},{"name":"MPNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#mpnnmodel","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":24},{"name":"PagtnModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#pagtnmodel","category":"molecule","featurizers":["PagtnMolGraphFeaturizer","MolGraphConvFeaturizer"],"backends":["DGL","PyTorch"],"types":["Classifier","Regressor"],"model_id":25},{"name":"TextCNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#textcnnmodel","category":"molecule","featurizers":[],"backends":["Keras","PyTorch"],"types":["Classifier","Regressor"],"model_id":26},{"name":"DTNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#dtnnmodel","category":"molecule","featurizers":["CoulombMatrix"],"backends":["PyTorch"],"types":["Regressor"],"model_id":27},{"name":"MATModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#matmodel","category":"molecule","featurizers":["MATFeaturizer"],"backends":["PyTorch"],"types":["Regressor"],"model_id":28},{"name":"WeaveModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#weavemodel","category":"molecule","featurizers":["WeaveFeaturizer"],"backends":["Keras"],"types":["Regressor"],"model_id":29},{"name":"DMPNNModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#dmpnnmodel","category":"molecule","featurizers":["DMPNNFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":30},{"name":"InfoGraph","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#infograph","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":31},{"name":"InfoGraphStar","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#infographstar","category":"molecule","featurizers":["MolGraphConvFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":32},{"name":"GNNModular","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#gnnmodular","category":"molecule","featurizers":["SNAPFeaturizer"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":33},{"name":"InfoMax3DModular","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#infomax3dmodular","category":"molecule","featurizers":["RDKitConformerFeaturizer"],"backends":["PyTorch"],"types":["Unsupervised"],"model_id":34},{"name":"Chemberta","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#chemberta","category":"molecule","featurizers":["","RobertaTokenizer"],"backends":[" PyTorch"],"types":["Classifier","Regressor"],"model_id":35},{"name":"MoLFormer","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#molformer","category":"molecule","featurizers":["","DummyFeaturizer"],"backends":[" PyTorch"],"types":["Classifier","Regressor"],"model_id":36},{"name":"ProgressiveMultitaskModel","url":"https://deepchem.readthedocs.io/en/latest/api_reference/models.html#progressivemultitaskmodel","category":"molecule","featurizers":["","CircularFingerprint","RDKitDescriptors","CoulombMatrixEig","RdkitGridFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"],"backends":["PyTorch"],"types":["Classifier","Regressor"],"model_id":37}]'),x=JSON.parse('["PyTorch Geometric","DGL"," PyTorch","PyTorch","Keras"]'),y=JSON.parse('["Regressor","Unsupervised","Classifier","Adversarial"]'),b=JSON.parse('["DMPNNFeaturizer","ComplexNeighborListFragmentAtomicCoordinates","RDKitDescriptors","CircularFingerprint","ConvMolFeaturizer","PagtnMolGraphFeaturizer","SNAPFeaturizer","CoulombMatrix","LCNNFeaturizer","RdkitGridFeaturizer","WeaveFeaturizer","SmilesToImage","MolGraphConvFeaturizer","RDKitConformerFeaturizer","CoulombMatrixEig","DummyFeaturizer","CGCNNFEaturizer","RobertaTokenizer","MATFeaturizer","BindingPocketFeaturizer","ElementPropertyFingerprint"]'),C=t(2584);let k=()=>{let[e,r]=(0,a.useState)(f),[t,i]=(0,a.useState)([]),[o,d]=(0,a.useState)([]),[g,u]=(0,a.useState)([]),[k,R]=(0,a.useState)(!1),D=(e,r)=>{switch(e){case"backends":t.includes(r)?i(t.filter(e=>e!==r)):i([...t,r]);break;case"types":o.includes(r)?d(o.filter(e=>e!==r)):d([...o,r]);break;case"featurizers":g.includes(r)?u(g.filter(e=>e!==r)):u([...g,r]);break;case"clear":i([]),d([]),u([])}},N=()=>{R(!k)};return(0,a.useEffect)(()=>{let e=[];0===t.length&&0===o.length&&0===g.length?e=f:f.map(r=>{let s=1;t.map(e=>{r.backends.includes(e)||(s=0)}),o.map(e=>{r.types.includes(e)||(s=0)}),g.map(e=>{r.featurizers.includes(e)||(s=0)}),1==s&&e.push(r)}),r(e)},[t,o,g]),(0,a.useEffect)(()=>{window.addEventListener("resize",()=>{window.innerWidth>1024&&R(!1)})},[]),(0,s.jsxs)("div",{className:"models",children:[(0,s.jsx)("div",{className:"".concat(k?"flex":"hidden"," fixed bg-dc-gray/80 w-full h-[100vh] top-0 lg:hidden"),onClick:N}),(0,s.jsxs)("div",{className:"flex flex-col items-start w-full px-[25px] 2xl:px-[300px] py-8 lg:py-16 gap-6",children:[(0,s.jsxs)("div",{className:"flex flex-row w-[100%] items-center justify-between py-2.5",children:[(0,s.jsx)("div",{className:"lg:text-4xl text-[26px]",children:"Our Models"}),(0,s.jsx)("div",{className:"lg:hidden",children:(0,s.jsx)("button",{className:"min-w-0",onClick:N,children:(0,s.jsx)(l(),{src:C.Z,alt:"Filter Button",width:18})})})]}),(0,s.jsxs)("div",{className:"flex flex-row items-start gap-12 w-full",children:[(0,s.jsxs)("div",{className:"".concat(k?"fixed flex left-1/2 top-1/2 -translate-x-1/2 -translate-y-1/2 px-8 py-6 bg-white shadow-[0_4px_4px_rgba(0,0,0,0.25)] rounded-[10px] w-[89%] overflow-y-auto h-[85vh]":"hidden"," lg:flex lg:relative lg:left-0 lg:top-0 lg:translate-x-0 lg:translate-y-0 lg:shadow-none lg:rounded-none flex-col items-start gap-5 lg:min-w-[240px] lg:max-w-[240px] lg:border-r-2 lg:py-0 lg:pl-0 pr-4 lg:border-dc-light-gray"),children:[(0,s.jsxs)("div",{className:"category-filter w-full",children:[(0,s.jsxs)("div",{className:"flex flex-row justify-between w-full items-center gap-1",children:[(0,s.jsx)("div",{className:"category-text-filter",children:"Backend"}),(0,s.jsxs)("div",{className:"flex flex-row items-center gap-4",children:[(0,s.jsx)("div",{className:"block",children:(0,s.jsx)("button",{className:"text-dc-gray normal-case p-0",onClick(){D("clear",null)},children:"Clear All"})}),(0,s.jsx)("div",{className:"lg:hidden",children:(0,s.jsx)("button",{className:"min-w-0",onClick:N,children:(0,s.jsx)("i",{className:"fa fa-close text-dc-gray text-lg"})})})]})]}),(0,s.jsx)("div",{className:"btn-container-filter",children:x.map((e,r)=>(0,s.jsx)("div",{children:(0,s.jsx)("button",{className:"rmv-filter",onClick(){D("backends",e)},children:(0,s.jsx)(A.Z,{category:t,name:e,image:"PyTorch"==e?c.Z:"Keras"==e?n.Z:null})})},"backend-".concat(r)))})]}),(0,s.jsxs)("div",{className:"category-filter",children:[(0,s.jsx)("div",{className:"category-text-filter",children:"Type"}),(0,s.jsx)("div",{className:"btn-container-filter",children:y.map((e,r)=>(0,s.jsx)("div",{children:(0,s.jsx)("button",{className:"rmv-filter",onClick(){D("types",e)},children:(0,s.jsx)(A.Z,{category:o,name:e,image:"Classifier"==e?m:"Regressor"==e?h:null})})},"type-".concat(r)))})]}),(0,s.jsxs)("div",{className:"category-filter",children:[(0,s.jsx)("div",{className:"category-text-filter",children:"Featurizer"}),(0,s.jsx)("div",{className:"btn-container-filter",children:b.map((e,r)=>(0,s.jsx)("div",{children:(0,s.jsx)("button",{className:"rmv-filter",onClick(){D("featurizers",e)},children:(0,s.jsx)(A.Z,{category:g,name:e,image:null})})},"feat-".concat(r)))})]})]}),(0,s.jsx)("div",{className:"items-start ".concat(e.length?"gap-8 justify-center model-container":""," w-full"),children:e.length?e.map(e=>(0,s.jsx)(p,{model:e},e.id)):(0,s.jsxs)("div",{className:"w-full mt-[5vh] flex items-center flex-col flex-grow",children:[(0,s.jsx)("i",{className:"fa-solid fa-triangle-exclamation text-7xl text-dc-gray/10 mb-2"}),(0,s.jsx)("p",{className:"text-dc-gray/60",children:"No such models exist!"})]})})]})]})]})};var R=k}},function(e){e.O(0,[9774,2888,179],function(){return e(e.s=9096)}),_N_E=e.O()}]); \ No newline at end of file diff --git a/_next/static/chunks/pages/tutorials/deepchemxalphafold-983483ba6cd165e5.js b/_next/static/chunks/pages/tutorials/deepchemxalphafold-ca94a600f6b88002.js similarity index 99% rename from _next/static/chunks/pages/tutorials/deepchemxalphafold-983483ba6cd165e5.js rename to _next/static/chunks/pages/tutorials/deepchemxalphafold-ca94a600f6b88002.js index f00c2402..2d18c5c0 100644 --- a/_next/static/chunks/pages/tutorials/deepchemxalphafold-983483ba6cd165e5.js +++ b/_next/static/chunks/pages/tutorials/deepchemxalphafold-ca94a600f6b88002.js @@ -1 +1 @@ -(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[9596],{6652:function(s,n,A){(window.__NEXT_P=window.__NEXT_P||[]).push(["/tutorials/deepchemxalphafold",function(){return A(2781)}])},2781:function(s,n,A){"use strict";A.r(n),A.d(n,{default:function(){return o}});var a=A(5893),p=A(1618),e=A(6485),l={html:'
\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n
\n'},i=A(7294),t=A(7466),c=A.n(t);let d=()=>((0,i.useEffect)(()=>{var s,n;null===(s=document.getElementsByClassName("scroll-nav")[0])||void 0===s||s.remove();let A=document.querySelector(".notebook"),a=document.querySelector(".notebook");a&&A&&c().init(A,{sections:"h1, h2",insertTarget:a,insertLocation:"after"}),null==MathJax||null===(n=MathJax.Hub)||void 0===n||n.Queue(["Typeset",MathJax.Hub])},[]),(0,a.jsx)("div",{className:"overflow-x-scroll",dangerouslySetInnerHTML:{__html:"".concat(l.html," ").concat(e.Z)}}));d.Layout=p.Z;var o=d}},function(s){s.O(0,[2443,9774,2888,179],function(){return s(s.s=6652)}),_N_E=s.O()}]); \ No newline at end of file +(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[9596],{6652:function(s,n,A){(window.__NEXT_P=window.__NEXT_P||[]).push(["/tutorials/deepchemxalphafold",function(){return A(2781)}])},2781:function(s,n,A){"use strict";A.r(n),A.d(n,{default:function(){return o}});var a=A(5893),p=A(1618),e=A(6485),l={html:'
\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n
\n'},i=A(7294),t=A(7466),c=A.n(t);let d=()=>((0,i.useEffect)(()=>{var s,n;null===(s=document.getElementsByClassName("scroll-nav")[0])||void 0===s||s.remove();let A=document.querySelector(".notebook"),a=document.querySelector(".notebook");a&&A&&c().init(A,{sections:"h1, h2",insertTarget:a,insertLocation:"after"}),null==MathJax||null===(n=MathJax.Hub)||void 0===n||n.Queue(["Typeset",MathJax.Hub])},[]),(0,a.jsx)("div",{className:"overflow-x-scroll",dangerouslySetInnerHTML:{__html:"".concat(l.html," ").concat(e.Z)}}));d.Layout=p.Z;var o=d}},function(s){s.O(0,[2443,9774,2888,179],function(){return s(s.s=6652)}),_N_E=s.O()}]); \ No newline at end of file diff --git a/_next/static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-88d8492613f4480a.js b/_next/static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-ca536fa3bb1034dc.js similarity index 99% rename from _next/static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-88d8492613f4480a.js rename to _next/static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-ca536fa3bb1034dc.js index 5568b87a..0ac314ab 100644 --- a/_next/static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-88d8492613f4480a.js +++ b/_next/static/chunks/pages/tutorials/transfer-learning-with-chemberta-transformers-ca536fa3bb1034dc.js @@ -1 +1 @@ -(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[6394],{9926:function(A,e,n){(window.__NEXT_P=window.__NEXT_P||[]).push(["/tutorials/transfer-learning-with-chemberta-transformers",function(){return n(8031)}])},8031:function(A,e,n){"use strict";n.r(e),n.d(e,{default:function(){return r}});var t=n(5893),a=n(1618),s=n(6485),p={html:'
\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n
\n'},o=n(7294),d=n(7466),i=n.n(d);let l=()=>((0,o.useEffect)(()=>{var A,e;null===(A=document.getElementsByClassName("scroll-nav")[0])||void 0===A||A.remove();let n=document.querySelector(".notebook"),t=document.querySelector(".notebook");t&&n&&i().init(n,{sections:"h1, h2",insertTarget:t,insertLocation:"after"}),null==MathJax||null===(e=MathJax.Hub)||void 0===e||e.Queue(["Typeset",MathJax.Hub])},[]),(0,t.jsx)("div",{className:"overflow-x-scroll",dangerouslySetInnerHTML:{__html:"".concat(p.html," ").concat(s.Z)}}));l.Layout=a.Z;var r=l}},function(A){A.O(0,[2443,9774,2888,179],function(){return A(A.s=9926)}),_N_E=A.O()}]); \ No newline at end of file +(self.webpackChunk_N_E=self.webpackChunk_N_E||[]).push([[6394],{9926:function(A,e,n){(window.__NEXT_P=window.__NEXT_P||[]).push(["/tutorials/transfer-learning-with-chemberta-transformers",function(){return n(8031)}])},8031:function(A,e,n){"use strict";n.r(e),n.d(e,{default:function(){return r}});var t=n(5893),a=n(1618),s=n(6485),p={html:'
\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n
\n'},o=n(7294),d=n(7466),i=n.n(d);let l=()=>((0,o.useEffect)(()=>{var A,e;null===(A=document.getElementsByClassName("scroll-nav")[0])||void 0===A||A.remove();let n=document.querySelector(".notebook"),t=document.querySelector(".notebook");t&&n&&i().init(n,{sections:"h1, h2",insertTarget:t,insertLocation:"after"}),null==MathJax||null===(e=MathJax.Hub)||void 0===e||e.Queue(["Typeset",MathJax.Hub])},[]),(0,t.jsx)("div",{className:"overflow-x-scroll",dangerouslySetInnerHTML:{__html:"".concat(p.html," ").concat(s.Z)}}));l.Layout=a.Z;var r=l}},function(A){A.O(0,[2443,9774,2888,179],function(){return A(A.s=9926)}),_N_E=A.O()}]); \ No newline at end of file diff --git a/about/index.html b/about/index.html index a4cb729b..705267b3 100644 --- a/about/index.html +++ b/about/index.html @@ -1 +1 @@ -DeepChem

From the Developer's Desk

“

The DeepChem project aims to make high quality open source software for scientific machine learning more accessible to scientists and developers worldwide. We have a particular focus on molecular machine learning and drug discovery, but also support a broad range of applications in bioinformatics, materials science, and computational physics. I started DeepChem while doing my Ph.D. at Stanford, but today DeepChem operates as a global distributed community of researchers spread across many academic and industrial institutions. We hope that you will join our community and help us build!

”

~ Bharath Ramsundar

FAQs

What is DeepChem?

DeepChem is a Python library for machine learning and deep learning on molecular and quantum datasets. It is built on top of PyTorch, and other popular ML frameworks. It is designed to make it easy to apply ML to new domains, and to build and benchmark new models. It is also designed to make it easy to use ML in production, by providing easy-to-use model export and deployment APIs.

How to get started?

To get started, you can check out our tutorials and documentation. You can also join our community on GitHub and discuss with other users.

Companies & Universities
Developing DeepChem

Licensing & Commercial Uses

DeepChem is licensed under the MIT License. We actively support commercial users. Note that any novel discoveries made through DeepChem belong entirely to the user and not to DeepChem developers.

\ No newline at end of file +DeepChem

From the Developer's Desk

“

The DeepChem project aims to make high quality open source software for scientific machine learning more accessible to scientists and developers worldwide. We have a particular focus on molecular machine learning and drug discovery, but also support a broad range of applications in bioinformatics, materials science, and computational physics. I started DeepChem while doing my Ph.D. at Stanford, but today DeepChem operates as a global distributed community of researchers spread across many academic and industrial institutions. We hope that you will join our community and help us build!

”

~ Bharath Ramsundar

FAQs

What is DeepChem?

DeepChem is a Python library for machine learning and deep learning on molecular and quantum datasets. It is built on top of PyTorch, and other popular ML frameworks. It is designed to make it easy to apply ML to new domains, and to build and benchmark new models. It is also designed to make it easy to use ML in production, by providing easy-to-use model export and deployment APIs.

How to get started?

To get started, you can check out our tutorials and documentation. You can also join our community on GitHub and discuss with other users.

Companies & Universities
Developing DeepChem

Licensing & Commercial Uses

DeepChem is licensed under the MIT License. We actively support commercial users. Note that any novel discoveries made through DeepChem belong entirely to the user and not to DeepChem developers.

\ No newline at end of file diff --git a/index.html b/index.html index fe02a8cb..24bd5a7e 100644 --- a/index.html +++ b/index.html @@ -1,5 +1,5 @@ -DeepChem

Democratising Deep Learning for

Sciences
DeepChem Logo

DeepChem

Get Started

Select package manager

$

pip install deepchem

Used By
Scientific Leaders

DeepChem

Democratising Deep Learning for

Sciences
DeepChem Logo

DeepChem

Get Started

Select package manager

$

pip install deepchem

Used By
Scientific Leaders

The DeepChem Book

DeepChem Book Cover

Download E-Book

Explore

Models

Projects

Tutorials

LAYERS

\ No newline at end of file + ">

Download E-Book

Explore

Models

Projects

Tutorials

LAYERS

\ No newline at end of file diff --git a/layers/index.html b/layers/index.html index 9823eba5..17b3209c 100644 --- a/layers/index.html +++ b/layers/index.html @@ -1 +1 @@ -DeepChem
Our Layers
Interatomic L2 Distances
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Conv
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Pool
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Gather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Mol GANConvolution Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANAggregation Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANMulti Convolution Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANEncoder Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

LSTMStep
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Attn LSTMEmbedding
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Iter Ref LSTMEmbedding
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Switched Dropout
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Weighted Linear Combo
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Combine Mean St
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Stack
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Vina Free Energy
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Neighbor List
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Atomic Convolution
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Alpha Share Layer
Keras
keras

Acceptable Models

, Sluice, Network                                                                                                                                                                                                                                                                                                             

Sluice Loss
Keras
keras

Acceptable Models

, Sluice, Network                                                                                                                                                                                                                                                                                                             

Beta Share
Keras
keras

Acceptable Models

, Sluice, Network                                                                                                                                                                                                                                                                                                             

ANIFeat
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Embed Pool Layer
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Highway
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Weave Layer
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Weave Gather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DTNNEmbedding
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DTNNStep
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DTNNGather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DAG Layer
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DAGGather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Message Passing
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Edge Network
Keras
keras

Acceptable Models

, MessagePassing                                                                                                                                                                                                                                                                                                             

Gated Recurrent Unit
Keras
keras

Acceptable Models

, MessagePassing                                                                                                                                                                                                                                                                                                             

Set Gather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Multilayer Perceptron
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Scale Norm
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

MATEncoder Layer
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Multi Headed MATAttention
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Sublayer Connection
PyTorch
torch

Acceptable Models

, Transformer                                                                                                                                                                                                                                                                                                             

MATEmbedding
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

MATGenerator
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Affine
PyTorch
torch

Acceptable Models

, Normalizing, Flow                                                                                                                                                                                                                                                                                                             

Real NVP Layer
PyTorch
torch

Acceptable Models

, Normalizing, Flow                                                                                                                                                                                                                                                                                                             

DMPNNEncoder Layer
PyTorch
torch

Acceptable Models

, Normalizing, Flow                                                                                                                                                                                                                                                                                                             

Positionwise Feed Forward
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Graph Pool
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Grover MPNEncoder
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Attention Head
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover MTBlock
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Trans Encoder
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Embedding
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Atom Vocab Predictor
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Bond Vocab Predictor
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Functional Group Predictor
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Scaled Dot Product Attention
PyTorch
torch

Acceptable Models

, Transformer                                                                                                                                                                                                                                                                                                             

Self Attention
PyTorch
torch

Acceptable Models

, Transformer                                                                                                                                                                                                                                                                                                             

Grover Readout
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

DFTXC
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

NNLDA
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

Hybrid XC
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

XCNNSCF
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

Atom Encoder
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

Bond Encoder
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

Net3 D Layer
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

Net3 D
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

PNA Layer
PyTorch
torch

Acceptable Models

, Principal, Neighbourhood, Aggregation                                                                                                                                                                                                                                                                                                             

PNAGNN
PyTorch
torch

Acceptable Models

, Principal, Neighbourhood, Aggregation                                                                                                                                                                                                                                                                                                             

Edge Network
PyTorch
torch

Acceptable Models

, Message, Passing, Neural, Network                                                                                                                                                                                                                                                                                                             

Weave Layer
PyTorch
torch

Acceptable Models

, WeaveModel                                                                                                                                                                                                                                                                                                             

Weave Gather
PyTorch
torch

Acceptable Models

, WeaveModel                                                                                                                                                                                                                                                                                                             

Gradient Penalty
PyTorch
torch

Acceptable Models

, WGANModel                                                                                                                                                                                                                                                                                                             

Mol GANConvolution Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANAggregation Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANMulti Convolution Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANEncoder Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

DTNNEmbedding
PyTorch
torch

Acceptable Models

, DTNNModel                                                                                                                                                                                                                                                                                                             

DTNNStep
PyTorch
torch

Acceptable Models

, DTNNModel                                                                                                                                                                                                                                                                                                             

DTNNGather
PyTorch
torch

Acceptable Models

, DTNNModel                                                                                                                                                                                                                                                                                                             

MXMNet Global Message Passing
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

MXMNet Bessel Basis Layer
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

Variational Randomizer
PyTorch
torch

Acceptable Models

, SeqToSeqModel                                                                                                                                                                                                                                                                                                             

Encoder RNN
PyTorch
torch

Acceptable Models

, SeqToSeqModel                                                                                                                                                                                                                                                                                                             

Decoder RNN
PyTorch
torch

Acceptable Models

, SeqToSeqModel                                                                                                                                                                                                                                                                                                             

Ferminet Electron Feature
PyTorch
torch

Acceptable Models

, FerminetModel                                                                                                                                                                                                                                                                                                             

Ferminet Envelope
PyTorch
torch

Acceptable Models

, FerminetModel                                                                                                                                                                                                                                                                                                             

MXMNet Local Message Passing
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

MXMNet Model MXMNet Spherical Basis Layer
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

Highway Layer
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Conv
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Pool
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Gather
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

IRV Layer
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

\ No newline at end of file +DeepChem
Our Layers
Interatomic L2 Distances
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Conv
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Pool
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Gather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Mol GANConvolution Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANAggregation Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANMulti Convolution Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANEncoder Layer
Keras
keras

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

LSTMStep
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Attn LSTMEmbedding
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Iter Ref LSTMEmbedding
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Switched Dropout
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Weighted Linear Combo
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Combine Mean St
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Stack
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Vina Free Energy
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Neighbor List
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Atomic Convolution
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Alpha Share Layer
Keras
keras

Acceptable Models

, Sluice, Network                                                                                                                                                                                                                                                                                                             

Sluice Loss
Keras
keras

Acceptable Models

, Sluice, Network                                                                                                                                                                                                                                                                                                             

Beta Share
Keras
keras

Acceptable Models

, Sluice, Network                                                                                                                                                                                                                                                                                                             

ANIFeat
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Embed Pool Layer
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Highway
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Weave Layer
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Weave Gather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DTNNEmbedding
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DTNNStep
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DTNNGather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DAG Layer
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

DAGGather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Message Passing
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Edge Network
Keras
keras

Acceptable Models

, MessagePassing                                                                                                                                                                                                                                                                                                             

Gated Recurrent Unit
Keras
keras

Acceptable Models

, MessagePassing                                                                                                                                                                                                                                                                                                             

Set Gather
Keras
keras

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Multilayer Perceptron
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Scale Norm
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

MATEncoder Layer
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Multi Headed MATAttention
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Sublayer Connection
PyTorch
torch

Acceptable Models

, Transformer                                                                                                                                                                                                                                                                                                             

MATEmbedding
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

MATGenerator
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Affine
PyTorch
torch

Acceptable Models

, Normalizing, Flow                                                                                                                                                                                                                                                                                                             

Real NVP Layer
PyTorch
torch

Acceptable Models

, Normalizing, Flow                                                                                                                                                                                                                                                                                                             

DMPNNEncoder Layer
PyTorch
torch

Acceptable Models

, Normalizing, Flow                                                                                                                                                                                                                                                                                                             

Positionwise Feed Forward
PyTorch
torch

Acceptable Models

, Molecular, Attention, Transformer                                                                                                                                                                                                                                                                                                             

Graph Pool
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Grover MPNEncoder
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Attention Head
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover MTBlock
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Trans Encoder
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Embedding
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Atom Vocab Predictor
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Bond Vocab Predictor
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Grover Functional Group Predictor
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

Scaled Dot Product Attention
PyTorch
torch

Acceptable Models

, Transformer                                                                                                                                                                                                                                                                                                             

Self Attention
PyTorch
torch

Acceptable Models

, Transformer                                                                                                                                                                                                                                                                                                             

Grover Readout
PyTorch
torch

Acceptable Models

, Grover                                                                                                                                                                                                                                                                                                             

DFTXC
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

NNLDA
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

Hybrid XC
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

XCNNSCF
PyTorch
torch

Acceptable Models

, XCModel-DFT                                                                                                                                                                                                                                                                                                             

Atom Encoder
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

Bond Encoder
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

Net3 D Layer
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

Net3 D
PyTorch
torch

Acceptable Models

, 3D, InfoMax                                                                                                                                                                                                                                                                                                             

PNA Layer
PyTorch
torch

Acceptable Models

, Principal, Neighbourhood, Aggregation                                                                                                                                                                                                                                                                                                             

PNAGNN
PyTorch
torch

Acceptable Models

, Principal, Neighbourhood, Aggregation                                                                                                                                                                                                                                                                                                             

Edge Network
PyTorch
torch

Acceptable Models

, Message, Passing, Neural, Network                                                                                                                                                                                                                                                                                                             

Weave Layer
PyTorch
torch

Acceptable Models

, WeaveModel                                                                                                                                                                                                                                                                                                             

Weave Gather
PyTorch
torch

Acceptable Models

, WeaveModel                                                                                                                                                                                                                                                                                                             

Gradient Penalty
PyTorch
torch

Acceptable Models

, WGANModel                                                                                                                                                                                                                                                                                                             

Mol GANConvolution Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANAggregation Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANMulti Convolution Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

Mol GANEncoder Layer
PyTorch
torch

Acceptable Models

, MolGan                                                                                                                                                                                                                                                                                                             

DTNNEmbedding
PyTorch
torch

Acceptable Models

, DTNNModel                                                                                                                                                                                                                                                                                                             

DTNNStep
PyTorch
torch

Acceptable Models

, DTNNModel                                                                                                                                                                                                                                                                                                             

DTNNGather
PyTorch
torch

Acceptable Models

, DTNNModel                                                                                                                                                                                                                                                                                                             

MXMNet Global Message Passing
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

MXMNet Bessel Basis Layer
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

Variational Randomizer
PyTorch
torch

Acceptable Models

, SeqToSeqModel                                                                                                                                                                                                                                                                                                             

Encoder RNN
PyTorch
torch

Acceptable Models

, SeqToSeqModel                                                                                                                                                                                                                                                                                                             

Decoder RNN
PyTorch
torch

Acceptable Models

, SeqToSeqModel                                                                                                                                                                                                                                                                                                             

Ferminet Electron Feature
PyTorch
torch

Acceptable Models

, FerminetModel                                                                                                                                                                                                                                                                                                             

Ferminet Envelope
PyTorch
torch

Acceptable Models

, FerminetModel                                                                                                                                                                                                                                                                                                             

MXMNet Local Message Passing
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

MXMNet Model MXMNet Spherical Basis Layer
PyTorch
torch

Acceptable Models

, MXMNetModel                                                                                                                                                                                                                                                                                                             

Highway Layer
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Conv
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Pool
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

Graph Gather
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

IRV Layer
PyTorch
torch

Acceptable Models

N/A                                                                                                                                                                                                                                                                                                             

\ No newline at end of file diff --git a/models/index.html b/models/index.html index d1069a41..c2160b42 100644 --- a/models/index.html +++ b/models/index.html @@ -1 +1 @@ -DeepChem
Our Models
CGCNN Model
Material Logo
material
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

CGCNNFEaturizer                                                                                                                                                                                                                                                                                                             

MEGNet Model
Material Logo
material
PyTorch
PyTorch
PyTorch Geometric
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

LCNN Model
Material Logo
material
PyTorch
PyTorch
Regressor

Acceptable Featurizers

LCNNFeaturizer                                                                                                                                                                                                                                                                                                             

CNN
general
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

Multitask
general
PyTorch
PyTorch
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Multitask Fit Transform
general
PyTorch
PyTorch
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Multitask IRV
general
Keras
Keras
PyTorch
PyTorch
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Multitask
general
PyTorch
PyTorch
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Progressive Multitask
general
Keras
Keras
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Progressive Multitask
general
Keras
Keras
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Robust Multitask
general
Keras
Keras
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Robust Multitask
general
Keras
Keras
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Seq To Seq
general
PyTorch
PyTorch

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

WGAN
general
Keras
Keras
Adversarial

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

UNet
general
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

Sc Score Model
Molecule Logo
molecule
Keras
Keras
Classifier

Acceptable Featurizers

CircularFingerprint,                                                                                                                                                                                                                                                                                                             

Atomic Conv Model
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

ComplexNeighborListFragmentAtomicCoordinates                                                                                                                                                                                                                                                                                                             

Attentive FP Model
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Chem Ception
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

SmilesToImage                                                                                                                                                                                                                                                                                                             

DAG Model
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

ConvMolFeaturizer                                                                                                                                                                                                                                                                                                             

GAT Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

GCN Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Graph Conv Model
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

ConvMolFeaturizer                                                                                                                                                                                                                                                                                                             

MEGNet Model
Molecule Logo
molecule
PyTorch
PyTorch
PyTorch Geometric
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

MPNN Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Pagtn Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

PagtnMolGraphFeaturizer, MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Text CNN Model
Molecule Logo
molecule
Keras
Keras
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

DTNN Model
Molecule Logo
molecule
PyTorch
PyTorch
Regressor

Acceptable Featurizers

CoulombMatrix                                                                                                                                                                                                                                                                                                             

MAT Model
Molecule Logo
molecule
PyTorch
PyTorch
Regressor

Acceptable Featurizers

MATFeaturizer                                                                                                                                                                                                                                                                                                             

Weave Model
Molecule Logo
molecule
Keras
Keras
Regressor

Acceptable Featurizers

WeaveFeaturizer                                                                                                                                                                                                                                                                                                             

DMPNN Model
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

DMPNNFeaturizer                                                                                                                                                                                                                                                                                                             

Info Graph
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Info Graph Star
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

GNNModular
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

SNAPFeaturizer                                                                                                                                                                                                                                                                                                             

Info Max3 DModular
Molecule Logo
molecule
PyTorch
PyTorch
Unsupervised

Acceptable Featurizers

RDKitConformerFeaturizer                                                                                                                                                                                                                                                                                                             

Chemberta
Molecule Logo
molecule
PyTorch
Classifier
Regressor

Acceptable Featurizers

, RobertaTokenizer                                                                                                                                                                                                                                                                                                             

Mo LFormer
Molecule Logo
molecule
PyTorch
Classifier
Regressor

Acceptable Featurizers

, DummyFeaturizer                                                                                                                                                                                                                                                                                                             

Progressive Multitask Model
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

, CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

\ No newline at end of file +DeepChem
Our Models
CGCNN Model
Material Logo
material
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

CGCNNFEaturizer                                                                                                                                                                                                                                                                                                             

MEGNet Model
Material Logo
material
PyTorch
PyTorch
PyTorch Geometric
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

LCNN Model
Material Logo
material
PyTorch
PyTorch
Regressor

Acceptable Featurizers

LCNNFeaturizer                                                                                                                                                                                                                                                                                                             

CNN
general
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

Multitask
general
PyTorch
PyTorch
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Multitask Fit Transform
general
PyTorch
PyTorch
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Multitask IRV
general
Keras
Keras
PyTorch
PyTorch
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Multitask
general
PyTorch
PyTorch
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Progressive Multitask
general
Keras
Keras
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Progressive Multitask
general
Keras
Keras
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Robust Multitask
general
Keras
Keras
Classifier

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Robust Multitask
general
Keras
Keras
Regressor

Acceptable Featurizers

CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

Seq To Seq
general
PyTorch
PyTorch

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

WGAN
general
Keras
Keras
Adversarial

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

UNet
general
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

Sc Score Model
Molecule Logo
molecule
Keras
Keras
Classifier

Acceptable Featurizers

CircularFingerprint,                                                                                                                                                                                                                                                                                                             

Atomic Conv Model
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

ComplexNeighborListFragmentAtomicCoordinates                                                                                                                                                                                                                                                                                                             

Attentive FP Model
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Chem Ception
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

SmilesToImage                                                                                                                                                                                                                                                                                                             

DAG Model
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

ConvMolFeaturizer                                                                                                                                                                                                                                                                                                             

GAT Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

GCN Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Graph Conv Model
Molecule Logo
molecule
Keras
Keras
Classifier
Regressor

Acceptable Featurizers

ConvMolFeaturizer                                                                                                                                                                                                                                                                                                             

MEGNet Model
Molecule Logo
molecule
PyTorch
PyTorch
PyTorch Geometric
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

MPNN Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Pagtn Model
Molecule Logo
molecule
DGL
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

PagtnMolGraphFeaturizer, MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Text CNN Model
Molecule Logo
molecule
Keras
Keras
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

N/A                                                                                                                                                                                                                                                                                                             

DTNN Model
Molecule Logo
molecule
PyTorch
PyTorch
Regressor

Acceptable Featurizers

CoulombMatrix                                                                                                                                                                                                                                                                                                             

MAT Model
Molecule Logo
molecule
PyTorch
PyTorch
Regressor

Acceptable Featurizers

MATFeaturizer                                                                                                                                                                                                                                                                                                             

Weave Model
Molecule Logo
molecule
Keras
Keras
Regressor

Acceptable Featurizers

WeaveFeaturizer                                                                                                                                                                                                                                                                                                             

DMPNN Model
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

DMPNNFeaturizer                                                                                                                                                                                                                                                                                                             

Info Graph
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

Info Graph Star
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

MolGraphConvFeaturizer                                                                                                                                                                                                                                                                                                             

GNNModular
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

SNAPFeaturizer                                                                                                                                                                                                                                                                                                             

Info Max3 DModular
Molecule Logo
molecule
PyTorch
PyTorch
Unsupervised

Acceptable Featurizers

RDKitConformerFeaturizer                                                                                                                                                                                                                                                                                                             

Chemberta
Molecule Logo
molecule
PyTorch
Classifier
Regressor

Acceptable Featurizers

, RobertaTokenizer                                                                                                                                                                                                                                                                                                             

Mo LFormer
Molecule Logo
molecule
PyTorch
Classifier
Regressor

Acceptable Featurizers

, DummyFeaturizer                                                                                                                                                                                                                                                                                                             

Progressive Multitask Model
Molecule Logo
molecule
PyTorch
PyTorch
Classifier
Regressor

Acceptable Featurizers

, CircularFingerprint, RDKitDescriptors, CoulombMatrixEig, RdkitGridFeaturizer, BindingPocketFeaturizer, ElementPropertyFingerprint                                                                                                                                                                                                                                                                                                             

\ No newline at end of file diff --git a/tutorials/about-node-using-torchdiffeq-in-deepchem/index.html b/tutorials/about-node-using-torchdiffeq-in-deepchem/index.html index c2b43b85..23d590be 100644 --- a/tutorials/about-node-using-torchdiffeq-in-deepchem/index.html +++ b/tutorials/about-node-using-torchdiffeq-in-deepchem/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/advanced-model-training-using-hyperopt/index.html b/tutorials/advanced-model-training-using-hyperopt/index.html index cc1ba8f2..4d371b1e 100644 --- a/tutorials/advanced-model-training-using-hyperopt/index.html +++ b/tutorials/advanced-model-training-using-hyperopt/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/advanced-model-training/index.html b/tutorials/advanced-model-training/index.html index c715f5e4..ca04094a 100644 --- a/tutorials/advanced-model-training/index.html +++ b/tutorials/advanced-model-training/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/an-introduction-to-moleculenet/index.html b/tutorials/an-introduction-to-moleculenet/index.html index 90608293..4d4b1c03 100644 --- a/tutorials/an-introduction-to-moleculenet/index.html +++ b/tutorials/an-introduction-to-moleculenet/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/an-introduction-to-the-polymers-and-their-representation/index.html b/tutorials/an-introduction-to-the-polymers-and-their-representation/index.html index da5792ff..1662ca8a 100644 --- a/tutorials/an-introduction-to-the-polymers-and-their-representation/index.html +++ b/tutorials/an-introduction-to-the-polymers-and-their-representation/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/atomic-contributions-for-molecules/index.html b/tutorials/atomic-contributions-for-molecules/index.html index 3c5af168..9ae328e6 100644 --- a/tutorials/atomic-contributions-for-molecules/index.html +++ b/tutorials/atomic-contributions-for-molecules/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/cell-counting-tutorial/index.html b/tutorials/cell-counting-tutorial/index.html index 18c5a2ab..2d416d47 100644 --- a/tutorials/cell-counting-tutorial/index.html +++ b/tutorials/cell-counting-tutorial/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/compiling-deepchem-torch-models/index.html b/tutorials/compiling-deepchem-torch-models/index.html index da4c8f0a..edcdb737 100644 --- a/tutorials/compiling-deepchem-torch-models/index.html +++ b/tutorials/compiling-deepchem-torch-models/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/conditional-generative-adversarial-networks/index.html b/tutorials/conditional-generative-adversarial-networks/index.html index b7bb6744..92ae14d4 100644 --- a/tutorials/conditional-generative-adversarial-networks/index.html +++ b/tutorials/conditional-generative-adversarial-networks/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/creating-a-high-fidelity-model-from-experimental-data/index.html b/tutorials/creating-a-high-fidelity-model-from-experimental-data/index.html index 1f9aecee..ad4be287 100644 --- a/tutorials/creating-a-high-fidelity-model-from-experimental-data/index.html +++ b/tutorials/creating-a-high-fidelity-model-from-experimental-data/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/creating-models-with-tensorflow-and-pytorch/index.html b/tutorials/creating-models-with-tensorflow-and-pytorch/index.html index 66fe7486..3257193f 100644 --- a/tutorials/creating-models-with-tensorflow-and-pytorch/index.html +++ b/tutorials/creating-models-with-tensorflow-and-pytorch/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/crystallization-tendency-regression/index.html b/tutorials/crystallization-tendency-regression/index.html index fc8916c8..2d44b953 100644 --- a/tutorials/crystallization-tendency-regression/index.html +++ b/tutorials/crystallization-tendency-regression/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data/index.html b/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data/index.html index 48d581ef..024b4e6c 100644 --- a/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data/index.html +++ b/tutorials/deep-probabilistic-analysis-of-single-cell-omics-data/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/deepchem-antibodytutorial-simplified/index.html b/tutorials/deepchem-antibodytutorial-simplified/index.html index fc152f9f..83fde55d 100644 --- a/tutorials/deepchem-antibodytutorial-simplified/index.html +++ b/tutorials/deepchem-antibodytutorial-simplified/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/deepchemxalphafold/index.html b/tutorials/deepchemxalphafold/index.html index ebd04a62..35c9520b 100644 --- a/tutorials/deepchemxalphafold/index.html +++ b/tutorials/deepchemxalphafold/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/deepqmc-tutorial/index.html b/tutorials/deepqmc-tutorial/index.html index 07b2bb77..de690468 100644 --- a/tutorials/deepqmc-tutorial/index.html +++ b/tutorials/deepqmc-tutorial/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/differentiation-infrastructure-in-deepchem/index.html b/tutorials/differentiation-infrastructure-in-deepchem/index.html index 6939b00e..20c0ecec 100644 --- a/tutorials/differentiation-infrastructure-in-deepchem/index.html +++ b/tutorials/differentiation-infrastructure-in-deepchem/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/druggablity-assessment-with-fpocket-and-machine-learning/index.html b/tutorials/druggablity-assessment-with-fpocket-and-machine-learning/index.html index 9a8640db..d444f247 100644 --- a/tutorials/druggablity-assessment-with-fpocket-and-machine-learning/index.html +++ b/tutorials/druggablity-assessment-with-fpocket-and-machine-learning/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/exploring-quantum-chemistry-with-gdb1k/index.html b/tutorials/exploring-quantum-chemistry-with-gdb1k/index.html index ee4b580c..44df5cd9 100644 --- a/tutorials/exploring-quantum-chemistry-with-gdb1k/index.html +++ b/tutorials/exploring-quantum-chemistry-with-gdb1k/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/generating-molecules-with-molgan/index.html b/tutorials/generating-molecules-with-molgan/index.html index 9f43ff55..6d497bea 100644 --- a/tutorials/generating-molecules-with-molgan/index.html +++ b/tutorials/generating-molecules-with-molgan/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/going-deeper-on-molecular-featurizations/index.html b/tutorials/going-deeper-on-molecular-featurizations/index.html index 38b3217e..861f88b7 100644 --- a/tutorials/going-deeper-on-molecular-featurizations/index.html +++ b/tutorials/going-deeper-on-molecular-featurizations/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/index.html b/tutorials/index.html index f73eb609..5544c17f 100644 --- a/tutorials/index.html +++ b/tutorials/index.html @@ -1 +1 @@ -DeepChem
\ No newline at end of file +DeepChem
\ No newline at end of file diff --git a/tutorials/interactive-model-evaluation-with-trident-chemwidgets/index.html b/tutorials/interactive-model-evaluation-with-trident-chemwidgets/index.html index 9b5e643d..9e8639d6 100644 --- a/tutorials/interactive-model-evaluation-with-trident-chemwidgets/index.html +++ b/tutorials/interactive-model-evaluation-with-trident-chemwidgets/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introducing-jaxmodel-and-pinnmodel/index.html b/tutorials/introducing-jaxmodel-and-pinnmodel/index.html index a412a39c..43e7bb04 100644 --- a/tutorials/introducing-jaxmodel-and-pinnmodel/index.html +++ b/tutorials/introducing-jaxmodel-and-pinnmodel/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-binding-sites/index.html b/tutorials/introduction-to-binding-sites/index.html index 8d7f0aaf..3e386c67 100644 --- a/tutorials/introduction-to-binding-sites/index.html +++ b/tutorials/introduction-to-binding-sites/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-bioinformatics/index.html b/tutorials/introduction-to-bioinformatics/index.html index 2c5f4ef2..cf4b5f6c 100644 --- a/tutorials/introduction-to-bioinformatics/index.html +++ b/tutorials/introduction-to-bioinformatics/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-equivariance/index.html b/tutorials/introduction-to-equivariance/index.html index b3d2a744..5beb1637 100644 --- a/tutorials/introduction-to-equivariance/index.html +++ b/tutorials/introduction-to-equivariance/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-gaussian-processes/index.html b/tutorials/introduction-to-gaussian-processes/index.html index 44f8cd46..c27d3e34 100644 --- a/tutorials/introduction-to-gaussian-processes/index.html +++ b/tutorials/introduction-to-gaussian-processes/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-graph-convolutions/index.html b/tutorials/introduction-to-graph-convolutions/index.html index 14de2423..77497fd1 100644 --- a/tutorials/introduction-to-graph-convolutions/index.html +++ b/tutorials/introduction-to-graph-convolutions/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-grover/index.html b/tutorials/introduction-to-grover/index.html index c1299ef9..b35a7915 100644 --- a/tutorials/introduction-to-grover/index.html +++ b/tutorials/introduction-to-grover/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-material-science/index.html b/tutorials/introduction-to-material-science/index.html index b2f4a7ba..3e4e2726 100644 --- a/tutorials/introduction-to-material-science/index.html +++ b/tutorials/introduction-to-material-science/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-model-interpretability/index.html b/tutorials/introduction-to-model-interpretability/index.html index 91580fe1..a80222ed 100644 --- a/tutorials/introduction-to-model-interpretability/index.html +++ b/tutorials/introduction-to-model-interpretability/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-molecular-attention-transformer/index.html b/tutorials/introduction-to-molecular-attention-transformer/index.html index 6b104199..bf62f699 100644 --- a/tutorials/introduction-to-molecular-attention-transformer/index.html +++ b/tutorials/introduction-to-molecular-attention-transformer/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-polymer-smiles/index.html b/tutorials/introduction-to-polymer-smiles/index.html index d4c3c1c5..b0f3b38d 100644 --- a/tutorials/introduction-to-polymer-smiles/index.html +++ b/tutorials/introduction-to-polymer-smiles/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-protacs/index.html b/tutorials/introduction-to-protacs/index.html index cedd11ab..1698982d 100644 --- a/tutorials/introduction-to-protacs/index.html +++ b/tutorials/introduction-to-protacs/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/introduction-to-protbert/index.html b/tutorials/introduction-to-protbert/index.html index 912c332f..ec3ecab1 100644 --- a/tutorials/introduction-to-protbert/index.html +++ b/tutorials/introduction-to-protbert/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/large-scale-chemical-screens/index.html b/tutorials/large-scale-chemical-screens/index.html index 79da8417..e7f08fa5 100644 --- a/tutorials/large-scale-chemical-screens/index.html +++ b/tutorials/large-scale-chemical-screens/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/learning-unsupervised-embeddings-for-molecules/index.html b/tutorials/learning-unsupervised-embeddings-for-molecules/index.html index 12d8e6e0..f594fc5a 100644 --- a/tutorials/learning-unsupervised-embeddings-for-molecules/index.html +++ b/tutorials/learning-unsupervised-embeddings-for-molecules/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions/index.html b/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions/index.html index 300d8b7b..5a140066 100644 --- a/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions/index.html +++ b/tutorials/modeling-protein-ligand-interactions-with-atomic-convolutions/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/modeling-protein-ligand-interactions/index.html b/tutorials/modeling-protein-ligand-interactions/index.html index dba867a1..86b8eee9 100644 --- a/tutorials/modeling-protein-ligand-interactions/index.html +++ b/tutorials/modeling-protein-ligand-interactions/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/molecular-fingerprints/index.html b/tutorials/molecular-fingerprints/index.html index ff83e4f1..ea9f879a 100644 --- a/tutorials/molecular-fingerprints/index.html +++ b/tutorials/molecular-fingerprints/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/multisequence-alignments/index.html b/tutorials/multisequence-alignments/index.html index 99c77eaf..b307f267 100644 --- a/tutorials/multisequence-alignments/index.html +++ b/tutorials/multisequence-alignments/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/ordinary-differential-equation-solving-using-deepchem/index.html b/tutorials/ordinary-differential-equation-solving-using-deepchem/index.html index b2f0d5c6..e4bf8b49 100644 --- a/tutorials/ordinary-differential-equation-solving-using-deepchem/index.html +++ b/tutorials/ordinary-differential-equation-solving-using-deepchem/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/physics-informed-neural-networks/index.html b/tutorials/physics-informed-neural-networks/index.html index 8c7ec3a6..e710fcc9 100644 --- a/tutorials/physics-informed-neural-networks/index.html +++ b/tutorials/physics-informed-neural-networks/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation/index.html b/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation/index.html index df77af31..9dd5a11e 100644 --- a/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation/index.html +++ b/tutorials/polybert-introduction-to-chemical-language-models-for-fingerprint-generation/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/predict-multi-label-odor-descriptors-using-openpom/index.html b/tutorials/predict-multi-label-odor-descriptors-using-openpom/index.html index 64b2ab4e..b2665627 100644 --- a/tutorials/predict-multi-label-odor-descriptors-using-openpom/index.html +++ b/tutorials/predict-multi-label-odor-descriptors-using-openpom/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/protein-deep-learning/index.html b/tutorials/protein-deep-learning/index.html index b106c482..f677c221 100644 --- a/tutorials/protein-deep-learning/index.html +++ b/tutorials/protein-deep-learning/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/protein-structure-prediction-with-esmfold/index.html b/tutorials/protein-structure-prediction-with-esmfold/index.html index 8f7ce14c..9c6b4f88 100644 --- a/tutorials/protein-structure-prediction-with-esmfold/index.html +++ b/tutorials/protein-structure-prediction-with-esmfold/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/proteinlm-tutorial0/index.html b/tutorials/proteinlm-tutorial0/index.html index ab3b712e..87d71b71 100644 --- a/tutorials/proteinlm-tutorial0/index.html +++ b/tutorials/proteinlm-tutorial0/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/putting-multitask-learning-to-work/index.html b/tutorials/putting-multitask-learning-to-work/index.html index 19460918..c7e5f4a4 100644 --- a/tutorials/putting-multitask-learning-to-work/index.html +++ b/tutorials/putting-multitask-learning-to-work/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/pytorchlightning-integration/index.html b/tutorials/pytorchlightning-integration/index.html index d66c8a59..336ee01e 100644 --- a/tutorials/pytorchlightning-integration/index.html +++ b/tutorials/pytorchlightning-integration/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/scanpy/index.html b/tutorials/scanpy/index.html index c54dc859..16ab7981 100644 --- a/tutorials/scanpy/index.html +++ b/tutorials/scanpy/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/synthetic-feasibility-scoring/index.html b/tutorials/synthetic-feasibility-scoring/index.html index 1aa18ff7..767f3c99 100644 --- a/tutorials/synthetic-feasibility-scoring/index.html +++ b/tutorials/synthetic-feasibility-scoring/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/the-basic-tools-of-the-deep-life-sciences/index.html b/tutorials/the-basic-tools-of-the-deep-life-sciences/index.html index 9f8fd00b..8ae2cfbf 100644 --- a/tutorials/the-basic-tools-of-the-deep-life-sciences/index.html +++ b/tutorials/the-basic-tools-of-the-deep-life-sciences/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/training-a-generative-adversarial-network-on-mnist/index.html b/tutorials/training-a-generative-adversarial-network-on-mnist/index.html index 532d9802..e9c2370b 100644 --- a/tutorials/training-a-generative-adversarial-network-on-mnist/index.html +++ b/tutorials/training-a-generative-adversarial-network-on-mnist/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/training-a-normalizing-flow-on-qm9/index.html b/tutorials/training-a-normalizing-flow-on-qm9/index.html index 74467541..01d0efc0 100644 --- a/tutorials/training-a-normalizing-flow-on-qm9/index.html +++ b/tutorials/training-a-normalizing-flow-on-qm9/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/training-an-exchange-correlation-functional-using-deepchem/index.html b/tutorials/training-an-exchange-correlation-functional-using-deepchem/index.html index 12c50d21..c990e4ae 100644 --- a/tutorials/training-an-exchange-correlation-functional-using-deepchem/index.html +++ b/tutorials/training-an-exchange-correlation-functional-using-deepchem/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/transfer-learning-with-chemberta-transformers/index.html b/tutorials/transfer-learning-with-chemberta-transformers/index.html index 53d8a5c4..206ef0b7 100644 --- a/tutorials/transfer-learning-with-chemberta-transformers/index.html +++ b/tutorials/transfer-learning-with-chemberta-transformers/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file diff --git a/tutorials/uncertainty-in-deep-learning/index.html b/tutorials/uncertainty-in-deep-learning/index.html index 5170b3d8..f8bc8909 100644 --- a/tutorials/uncertainty-in-deep-learning/index.html +++ b/tutorials/uncertainty-in-deep-learning/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations/index.html b/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations/index.html index 10988e6f..8296ab1f 100644 --- a/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations/index.html +++ b/tutorials/understanding-weighted-directed-graphs-for-polymer-implimentations/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/uniprot-data-preprocessing-for-binding-sites/index.html b/tutorials/uniprot-data-preprocessing-for-binding-sites/index.html index 55db9df3..1b33a7c2 100644 --- a/tutorials/uniprot-data-preprocessing-for-binding-sites/index.html +++ b/tutorials/uniprot-data-preprocessing-for-binding-sites/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/using-reinforcement-learning-to-play-pong/index.html b/tutorials/using-reinforcement-learning-to-play-pong/index.html index eb9c7129..636ceee1 100644 --- a/tutorials/using-reinforcement-learning-to-play-pong/index.html +++ b/tutorials/using-reinforcement-learning-to-play-pong/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/working-with-datasets/index.html b/tutorials/working-with-datasets/index.html index 0126f0a0..328f750e 100644 --- a/tutorials/working-with-datasets/index.html +++ b/tutorials/working-with-datasets/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file diff --git a/tutorials/working-with-splitters/index.html b/tutorials/working-with-splitters/index.html index 65e55fc4..e1c129c3 100644 --- a/tutorials/working-with-splitters/index.html +++ b/tutorials/working-with-splitters/index.html @@ -1,4 +1,4 @@ -DeepChem

Tutorials

+DeepChem

Tutorials

\ No newline at end of file +
\ No newline at end of file