drugood.yaml

name: drugood
channels:
  - brown-data-science
  - pytorch
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=4.5=1_gnu
  - blas=1.0=mkl
  - bzip2=1.0.8=h7b6447c_0
  - ca-certificates=2021.7.5=h06a4308_1
  - certifi=2021.5.30=py38h06a4308_0
  - cudatoolkit=11.0.221=h6bb024c_0
  - ffmpeg=4.3=hf484d3e_0
  - freetype=2.10.4=h5ab3b9f_0
  - gcc=5.4.0=0
  - gmp=6.2.1=h2531618_2
  - gnutls=3.6.15=he1e5248_0
  - intel-openmp=2021.3.0=h06a4308_3350
  - jpeg=9b=h024ee3a_2
  - lame=3.100=h7b6447c_0
  - lcms2=2.12=h3be6417_0
  - ld_impl_linux-64=2.35.1=h7274673_9
  - libffi=3.3=he6710b0_2
  - libgcc-ng=9.3.0=h5101ec6_17
  - libgomp=9.3.0=h5101ec6_17
  - libiconv=1.15=h63c8f33_5
  - libidn2=2.3.1=h27cfd23_0
  - libpng=1.6.37=hbc83047_0
  - libstdcxx-ng=9.3.0=hd4cf53a_17
  - libtasn1=4.16.0=h27cfd23_0
  - libtiff=4.2.0=h85742a9_0
  - libunistring=0.9.10=h27cfd23_0
  - libuv=1.40.0=h7b6447c_0
  - libwebp-base=1.2.0=h27cfd23_0
  - lz4-c=1.9.3=h2531618_0
  - mkl=2021.3.0=h06a4308_520
  - mkl-service=2.4.0=py38h7f8727e_0
  - mkl_fft=1.3.0=py38h42c9631_2
  - mkl_random=1.2.2=py38h51133e4_0
  - ncurses=6.2=he6710b0_1
  - nettle=3.7.3=hbbd107a_1
  - ninja=1.10.2=hff7bd54_1
  - numpy=1.20.3=py38hf144106_0
  - numpy-base=1.20.3=py38h74d4b33_0
  - olefile=0.46=py_0
  - openh264=2.1.0=hd408876_0
  - openjpeg=2.3.0=h05c96fa_1
  - openssl=1.1.1k=h27cfd23_0
  - pillow=8.3.1=py38h2c7a002_0
  - pip=21.1.3=py38h06a4308_0
  - python=3.8.5=h7579374_1
  - pytorch=1.7.1=py3.8_cuda11.0.221_cudnn8.0.5_0
  - readline=8.1=h27cfd23_0
  - setuptools=52.0.0=py38h06a4308_0
  - six=1.16.0=pyhd3eb1b0_0
  - sqlite=3.36.0=hc218d9a_0
  - tk=8.6.10=hbc83047_0
  - torchaudio=0.7.2=py38
  - torchvision=0.8.2=py38_cu110
  - typing_extensions=3.10.0.0=pyh06a4308_0
  - wheel=0.36.2=pyhd3eb1b0_0
  - xz=5.2.5=h7b6447c_0
  - zlib=1.2.11=h7b6447c_3
  - zstd=1.4.9=haebb681_0
  - pip:
    - absl-py==1.0.0
    - addict==2.4.0
    - attrs==21.4.0
    - cachetools==5.0.0
    - charset-normalizer==2.0.12
    - click==8.0.4
    - cloudpickle==2.0.0
    - codecov==2.1.12
    - colorama==0.4.4
    - coverage==6.3.2
    - cycler==0.11.0
    - cython==0.29.28
    - dgl-cu110==0.6.1
    - dgllife==0.2.9
    - filelock==3.6.0
    - flake8==4.0.1
    - fonttools==4.29.1
    - future==0.18.2
    - fuzzywuzzy==0.18.0
    - google-auth==2.6.0
    - google-auth-oauthlib==0.4.6
    - googledrivedownloader==0.4
    - grpcio==1.44.0
    - huggingface-hub==0.4.0
    - hyperopt==0.2.7
    - idna==3.3
    - importlib-metadata==4.11.1
    - iniconfig==1.1.1
    - interrogate==1.5.0
    - isodate==0.6.1
    - isort==4.3.21
    - jinja2==3.0.3
    - joblib==1.1.0
    - kiwisolver==1.3.2
    - littleutils==0.2.2
    - markdown==3.3.6
    - markupsafe==2.1.0
    - matplotlib==3.5.1
    - mccabe==0.6.1
    - mmcv==1.4.5
    - networkx==2.6.3
    - oauthlib==3.2.0
    - ogb==1.3.2
    - opencv-python==4.5.5.62
    - outdated==0.2.1
    - packaging==21.3
    - pandas==1.4.1
    - pluggy==1.0.0
    - prettytable==3.2.0
    - protobuf==3.19.4
    - py==1.11.0
    - py4j==0.10.9.3
    - pyasn1==0.4.8
    - pyasn1-modules==0.2.8
    - pycodestyle==2.8.0
    - pyflakes==2.4.0
    - pyparsing==3.0.7
    - pytdc==0.3.6
    - pytest==7.0.1
    - python-dateutil==2.8.2
    - pytz==2021.3
    - pyyaml==6.0
    - rdflib==6.1.1
    - rdkit-pypi==2021.9.4
    - regex==2022.1.18
    - requests==2.27.1
    - requests-oauthlib==1.3.1
    - rsa==4.8
    - sacremoses==0.0.47
    - scikit-learn==1.0.2
    - scipy==1.8.0
    - seaborn==0.11.2
    - tabulate==0.8.9
    - tensorboard==2.8.0
    - tensorboard-data-server==0.6.1
    - tensorboard-plugin-wit==1.8.1
    - threadpoolctl==3.1.0
    - tokenizers==0.11.5
    - toml==0.10.2
    - tomli==2.0.1
    - torch-geometric==2.0.3
    - torch-scatter==2.0.7
    - torch-sparse==0.6.12
    - tqdm==4.62.3
    - transformers==4.16.2
    - urllib3==1.26.8
    - werkzeug==2.0.3
    - wilds==2.0.0
    - xdoctest==0.15.10
    - yacs==0.1.8
    - yapf==0.32.0
    - zipp==3.7.0
prefix: /root/anaconda3/envs/drugood