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env_cuda113.yml
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/
env_cuda113.yml
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name: SBDD-3D
channels:
- pyg
- pytorch
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1
- _openmp_mutex=4.5
- absl-py=1.0.0
- aiohttp=3.7.4.post0
- async-timeout=3.0.1
- attrs=21.4.0
- biopython=1.79
- blas=1.0
- blinker=1.4
- boost=1.74.0
- boost-cpp=1.74.0
- brotlipy=0.7.0
- bzip2=1.0.8
- c-ares=1.18.1
- ca-certificates=2021.10.8
- cachetools=4.2.4
- cairo=1.16.0
- certifi=2021.10.8
- cffi=1.14.6
- chardet=4.0.0
- charset-normalizer=2.0.10
- click=8.0.3
- colorama=0.4.4
- cryptography=35.0.0
- cudatoolkit=11.3.1
- cycler=0.11.0
- dataclasses=0.8
- decorator=4.4.2
- easydict=1.9
- ffmpeg=4.3
- fontconfig=2.13.1
- freetype=2.11.0
- giflib=5.2.1
- glib=2.69.1
- gmp=6.2.1
- gnutls=3.6.15
- google-auth=2.3.3
- google-auth-oauthlib=0.4.6
- googledrivedownloader=0.4
- grpcio=1.42.0
- icu=67.1
- idna=3.1
- importlib-metadata=4.10.0
- intel-openmp=2021.4.0
- jinja2=3.0.3
- joblib=1.1.0
- jpeg=9d
- kiwisolver=1.3.1
- lame=3.100
- lcms2=2.12
- ld_impl_linux-64=2.35.1
- libffi=3.3
- libgcc-ng=9.3.0
- libgfortran-ng=7.5.0
- libgfortran4=7.5.0
- libgomp=9.3.0
- libiconv=1.15
- libidn2=2.3.2
- libpng=1.6.37
- libprotobuf=3.15.8
- libstdcxx-ng=9.3.0
- libtasn1=4.16.0
- libtiff=4.2.0
- libunistring=0.9.10
- libuuid=2.32.1
- libuv=1.40.0
- libwebp=1.2.0
- libwebp-base=1.2.0
- libxcb=1.13
- libxml2=2.9.10
- lz4-c=1.9.3
- markdown=3.3.6
- markupsafe=2.0.1
- matplotlib-base=3.3.4
- mkl=2021.4.0
- mkl-service=2.4.0
- mkl_fft=1.3.1
- mkl_random=1.2.2
- multidict=5.2.0
- ncurses=6.3
- nettle=3.7.3
- networkx=2.5.1
- numpy=1.21.2
- numpy-base=1.21.2
- oauthlib=3.1.1
- olefile=0.46
- openbabel=3.1.1
- openh264=2.1.1
- openssl=1.1.1n
- pandas=1.2.5
- pcre=8.45
- pillow=8.4.0
- pip=21.2.4
- pixman=0.38.0
- protobuf=3.15.8
- pthread-stubs=0.4
- pyasn1=0.4.8
- pyasn1-modules=0.2.7
- pycairo=1.20.1
- pycparser=2.21
- pyg=2.0.3
- pyjwt=2.3.0
- pyopenssl=21.0.0
- pyparsing=3.0.6
- pysocks=1.7.1
- python=3.8.12
- python-dateutil=2.8.2
- python-lmdb=0.99
- python-louvain=0.15
- python_abi=3.8
- pytorch=1.10.1
- pytorch-cluster=1.5.9
- pytorch-mutex=1.0
- pytorch-scatter=2.0.9
- pytorch-sparse=0.6.12
- pytorch-spline-conv=1.2.1
- pytz=2021.3
- pyu2f=0.1.5
- pyyaml=5.4.1
- rdkit=2020.09.5
- readline=8.1.2
- reportlab=3.5.68
- requests=2.27.1
- requests-oauthlib=1.3.0
- rsa=4.8
- scikit-learn=1.0.2
- scipy=1.7.3
- setuptools=58.0.4
- six=1.16.0
- sqlalchemy=1.3.23
- sqlite=3.37.0
- tensorboard=2.7.0
- tensorboard-data-server=0.6.0
- tensorboard-plugin-wit=1.8.1
- threadpoolctl=3.0.0
- tk=8.6.11
- torchaudio=0.10.1
- torchvision=0.11.2
- tornado=6.1
- tqdm=4.62.3
- typing-extensions=3.10.0.2
- typing_extensions=3.10.0.2
- urllib3=1.26.8
- werkzeug=2.0.1
- wheel=0.37.1
- xorg-kbproto=1.0.7
- xorg-libice=1.0.10
- xorg-libsm=1.2.3
- xorg-libx11=1.7.2
- xorg-libxau=1.0.9
- xorg-libxdmcp=1.1.3
- xorg-libxext=1.3.4
- xorg-libxrender=0.9.10
- xorg-renderproto=0.11.1
- xorg-xextproto=7.3.0
- xorg-xproto=7.0.31
- xz=5.2.5
- yacs=0.1.6
- yaml=0.2.5
- yarl=1.6.3
- zipp=3.7.0
- zlib=1.2.11
- zstd=1.4.9