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test-lifecycle.yaml
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Add LIPID MAPS fragment optimization dataset Test lifecycle #127: Pull request #394 labeled by j-wags
January 17, 2025 22:23 2s lipid-fragments
lipid-fragments
January 17, 2025 22:23 2s
Add LIPID MAPS fragment optimization dataset Test lifecycle #126: Pull request #394 labeled by j-wags
January 17, 2025 22:12 2s lipid-fragments
lipid-fragments
January 17, 2025 22:12 2s
Add LIPID MAPS fragment optimization dataset Test lifecycle #125: Pull request #394 labeled by j-wags
January 17, 2025 22:03 2s lipid-fragments
lipid-fragments
January 17, 2025 22:03 2s
OpenFF Organometallics Exploratory Optimization Dataset Test lifecycle #124: Pull request #413 labeled by openff-dangerbot
January 15, 2025 00:19 2s organometallics-test
organometallics-test
January 15, 2025 00:19 2s
Dipeptides lowest energy conformer optimization Test lifecycle #123: Pull request #422 labeled by lilyminium
January 10, 2025 14:48 3s dipep-lowe-optimization
dipep-lowe-optimization
January 10, 2025 14:48 3s
Des370k monomer lowest energy conformer optimization Test lifecycle #122: Pull request #421 labeled by lilyminium
January 10, 2025 00:14 3s des370k-lowe-optimization
des370k-lowe-optimization
January 10, 2025 00:14 3s
Dipeptides lowest energy conformer optimization Test lifecycle #121: Pull request #422 labeled by lilyminium
January 9, 2025 23:57 2s dipep-lowe-optimization
dipep-lowe-optimization
January 9, 2025 23:57 2s
OpenFF Organometallics Exploratory Optimization Dataset Test lifecycle #120: Pull request #413 labeled by openff-dangerbot
January 3, 2025 00:19 2s organometallics-test
organometallics-test
January 3, 2025 00:19 2s
Release sage 2.1.0 Test lifecycle #119: Pull request #420 labeled by jaclark5
December 20, 2024 18:24 2s release_sage_2.1.0
release_sage_2.1.0
December 20, 2024 18:24 2s
Release sage 2.0.0 Test lifecycle #118: Pull request #418 labeled by ntBre
December 19, 2024 19:37 4s release_sage_2.0.0
release_sage_2.0.0
December 19, 2024 19:37 4s
Release sage 2.0.0 Test lifecycle #117: Pull request #418 labeled by jaclark5
December 19, 2024 13:44 3s release_sage_2.0.0
release_sage_2.0.0
December 19, 2024 13:44 3s
Release sage 2.0.0 torsion Test lifecycle #116: Pull request #419 labeled by jaclark5
December 18, 2024 22:58 1s release_sage_2.0.0_torsion
release_sage_2.0.0_torsion
December 18, 2024 22:58 1s
Add i hessians Test lifecycle #115: Pull request #393 labeled by openff-dangerbot
December 18, 2024 00:20 2s add-i-hessians
add-i-hessians
December 18, 2024 00:20 2s
Update sulfur hessian dataset with create_basic_dataset Test lifecycle #114: Pull request #403 labeled by openff-dangerbot
December 18, 2024 00:20 2s sulfur-hess-v1.1
sulfur-hess-v1.1
December 18, 2024 00:20 2s
Aniline hessian update clean Test lifecycle #113: Pull request #406 labeled by openff-dangerbot
December 18, 2024 00:20 1s aniline-hessian-update-clean
aniline-hessian-update-clean
December 18, 2024 00:20 1s
NAGL2 training optimizations part 1 Test lifecycle #112: Pull request #409 labeled by openff-dangerbot
December 18, 2024 00:20 1s nagl2-training-opt
nagl2-training-opt
December 18, 2024 00:20 1s
Nagl2 training opt p2 Test lifecycle #111: Pull request #410 labeled by openff-dangerbot
December 18, 2024 00:20 1s nagl2-training-opt-p2
nagl2-training-opt-p2
December 18, 2024 00:20 1s
Combine and filter NAGL2 Optimization Datasets Part 1 + Part 2 Test lifecycle #110: Pull request #416 labeled by openff-dangerbot
December 18, 2024 00:20 2s combine-nagl2-opt
combine-nagl2-opt
December 18, 2024 00:20 2s
OpenFF Organometallics Exploratory Optimization Dataset Test lifecycle #109: Pull request #413 labeled by ntBre
December 17, 2024 15:56 2s organometallics-test
organometallics-test
December 17, 2024 15:56 2s
Release sage 2.0.0 Test lifecycle #108: Pull request #418 labeled by lilyminium
December 17, 2024 03:13 2s release_sage_2.0.0
release_sage_2.0.0
December 17, 2024 03:13 2s
Combine and filter NAGL2 Optimization Datasets Part 1 + Part 2 Test lifecycle #107: Pull request #416 labeled by openff-dangerbot
December 12, 2024 00:21 2s combine-nagl2-opt
combine-nagl2-opt
December 12, 2024 00:21 2s
Combine and filter NAGL2 Optimization Datasets Part 1 + Part 2 Test lifecycle #106: Pull request #416 labeled by amcisaac
December 9, 2024 20:54 3s combine-nagl2-opt
combine-nagl2-opt
December 9, 2024 20:54 3s
Combine and filter NAGL2 Optimization Datasets Part 1 + Part 2 Test lifecycle #105: Pull request #416 labeled by amcisaac
December 9, 2024 07:29 2s combine-nagl2-opt
combine-nagl2-opt
December 9, 2024 07:29 2s
OpenFF Organometallics Exploratory Optimization Dataset Test lifecycle #104: Pull request #413 labeled by ntBre
December 4, 2024 18:36 2s organometallics-test
organometallics-test
December 4, 2024 18:36 2s
OpenFF Lipid Optimization Benchmark Supplement v1.0 Test lifecycle #103: Pull request #399 labeled by lilyminium
December 4, 2024 08:31 2s lipid-molecules
lipid-molecules
December 4, 2024 08:31 2s