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deepmass2_env.yml
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name: deepmass2
channels:
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/bioconda/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/
- genomedk
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- bzip2=1.0.8=hd590300_5
- ca-certificates=2023.11.17=hbcca054_0
- ld_impl_linux-64=2.40=h41732ed_0
- libffi=3.4.2=h7f98852_5
- libgcc-ng=13.2.0=h807b86a_3
- libgomp=13.2.0=h807b86a_3
- libnsl=2.0.1=hd590300_0
- libsqlite=3.44.0=h2797004_0
- libuuid=2.38.1=h0b41bf4_0
- libzlib=1.2.13=hd590300_5
- ncurses=6.4=h59595ed_2
- openssl=3.1.4=hd590300_0
- pip=23.3.1=pyhd8ed1ab_0
- python=3.8.18=hd12c33a_0_cpython
- readline=8.2=h8228510_1
- tk=8.6.13=noxft_h4845f30_101
- wheel=0.41.3=pyhd8ed1ab_0
- xz=5.2.6=h166bdaf_0
- pip:
- absl-py==2.0.0
- adjusttext==0.7.3
- aiofiles==23.2.1
- altair==5.1.2
- altgraph==0.17.4
- annotated-types==0.6.0
- anyio==3.7.1
- astunparse==1.6.3
- attrs==23.1.0
- beautifulsoup4==4.12.2
- cachetools==5.3.2
- certifi==2023.11.17
- charset-normalizer==3.3.2
- click==8.1.7
- colorama==0.4.6
- contourpy==1.1.1
- cycler==0.12.1
- deprecated==1.2.14
- exceptiongroup==1.2.0
- fastapi==0.104.1
- ffmpy==0.3.1
- filelock==3.13.1
- flatbuffers==23.5.26
- fonttools==4.45.0
- fsspec==2023.10.0
- gast==0.4.0
- gensim==4.3.2
- google-auth==2.23.4
- google-auth-oauthlib==0.4.6
- google-pasta==0.2.0
- gradio==4.1.2
- gradio-client==0.7.0
- greenlet==3.0.3
- grpcio==1.59.3
- h11==0.14.0
- h5py==3.10.0
- hnswlib==0.6.2
- httpcore==1.0.2
- httptools==0.6.1
- httpx==0.25.1
- huggingface-hub==0.19.4
- idna==3.4
- importlib-metadata==6.8.0
- importlib-resources==6.1.1
- jax==0.4.13
- jinja2==3.1.2
- joblib==1.3.2
- jpype1==1.4.1
- jsonschema==4.20.0
- jsonschema-specifications==2023.11.1
- keras==2.11.0
- kiwisolver==1.4.5
- libclang==16.0.6
- llvmlite==0.40.1
- lxml==4.9.3
- markdown==3.5.1
- markdown-it-py==3.0.0
- markupsafe==2.1.3
- matchms==0.24.0
- matplotlib==3.7.5
- mdurl==0.1.2
- ml-dtypes==0.2.0
- molmass==2023.4.10
- ms2deepscore==0.2.3
- networkx==3.1
- numba==0.57.1
- numpy==1.24.3
- oauthlib==3.2.2
- opt-einsum==3.3.0
- orjson==3.9.10
- packaging==23.2
- pandas==2.0.3
- pickydict==0.4.0
- pillow==10.1.0
- pkgutil-resolve-name==1.3.10
- protobuf==3.19.6
- pubchempy==1.0.4
- pyasn1==0.5.1
- pyasn1-modules==0.3.0
- pydantic==2.5.1
- pydantic-core==2.14.3
- pydub==0.25.1
- pygments==2.17.1
- pyinstaller==5.5
- pyinstaller-hooks-contrib==2023.10
- pyparsing==3.1.1
- pyqt5==5.15.10
- pyqt5-qt5==5.15.2
- pyqt5-sip==12.13.0
- pyteomics==4.6.3
- python-dateutil==2.8.2
- python-dotenv==1.0.0
- python-multipart==0.0.6
- pytz==2023.3.post1
- pyyaml==6.0.2
- rdkit==2023.9.5
- rdkit-pypi==2022.9.5
- referencing==0.31.0
- requests==2.31.0
- requests-oauthlib==1.3.1
- rich==13.7.0
- rpds-py==0.13.1
- rsa==4.9
- scikit-learn==1.1.3
- scikit-opt==0.6.6
- scipy==1.10.1
- seaborn==0.13.0
- semantic-version==2.10.0
- setuptools==59.8.0
- shellingham==1.5.4
- six==1.16.0
- smart-open==6.4.0
- sniffio==1.3.0
- soupsieve==2.5
- sparsestack==0.4.1
- spec2vec==0.8.0
- sqlalchemy==2.0.36
- starlette==0.27.0
- tensorboard==2.11.2
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- tensorflow==2.11.1
- tensorflow-estimator==2.11.0
- tensorflow-io-gcs-filesystem==0.34.0
- termcolor==2.3.0
- threadpoolctl==3.2.0
- tomlkit==0.12.0
- toolz==0.12.0
- tqdm==4.66.1
- typer==0.9.0
- typing-extensions==4.8.0
- tzdata==2024.1
- urllib3==2.1.0
- uvicorn==0.24.0.post1
- uvloop==0.19.0
- watchfiles==0.21.0
- websockets==11.0.3
- werkzeug==3.0.1
- wrapt==1.14.1
- zipp==3.17.0