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environment.yml
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environment.yml
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name: 3dinforcpi
channels:
- pyg
- pytorch
- dglteam
- nvidia
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- blas=1.0=mkl
- brotlipy=0.7.0=py37h27cfd23_1003
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2022.10.11=h06a4308_0
- certifi=2022.9.24=py37h06a4308_0
- cffi=1.15.1=py37h5eee18b_3
- cryptography=38.0.1=py37h9ce1e76_0
- cuda=11.7.1=0
- cuda-cccl=11.7.91=0
- cuda-command-line-tools=11.7.1=0
- cuda-compiler=11.7.1=0
- cuda-cudart=11.7.99=0
- cuda-cudart-dev=11.7.99=0
- cuda-cuobjdump=11.7.91=0
- cuda-cupti=11.7.101=0
- cuda-cuxxfilt=11.7.91=0
- cuda-demo-suite=12.0.76=0
- cuda-documentation=12.0.76=0
- cuda-driver-dev=11.7.99=0
- cuda-gdb=12.0.90=0
- cuda-libraries=11.7.1=0
- cuda-libraries-dev=11.7.1=0
- cuda-memcheck=11.8.86=0
- cuda-nsight=12.0.78=0
- cuda-nsight-compute=12.0.0=0
- cuda-nvcc=11.7.99=0
- cuda-nvdisasm=12.0.76=0
- cuda-nvml-dev=11.7.91=0
- cuda-nvprof=12.0.90=0
- cuda-nvprune=11.7.91=0
- cuda-nvrtc=11.7.99=0
- cuda-nvrtc-dev=11.7.99=0
- cuda-nvtx=11.7.91=0
- cuda-nvvp=12.0.90=0
- cuda-runtime=11.7.1=0
- cuda-sanitizer-api=12.0.90=0
- cuda-toolkit=11.7.1=0
- cuda-tools=11.7.1=0
- cuda-visual-tools=11.7.1=0
- cudatoolkit=11.3.1=h2bc3f7f_2
- decorator=5.1.1=pyhd3eb1b0_0
- dgl-cuda11.3=0.9.1post1=py37_0
- ffmpeg=4.3=hf484d3e_0
- fftw=3.3.9=h27cfd23_1
- flit-core=3.6.0=pyhd3eb1b0_0
- freetype=2.12.1=h4a9f257_0
- future=0.18.2=py37_1
- gds-tools=1.5.0.59=0
- giflib=5.2.1=h7b6447c_0
- gmp=6.2.1=h295c915_3
- gnutls=3.6.15=he1e5248_0
- idna=3.4=py37h06a4308_0
- intel-openmp=2021.4.0=h06a4308_3561
- jpeg=9e=h7f8727e_0
- lame=3.100=h7b6447c_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libcublas=11.10.3.66=0
- libcublas-dev=11.10.3.66=0
- libcufft=10.7.2.124=h4fbf590_0
- libcufft-dev=10.7.2.124=h98a8f43_0
- libcufile=1.5.0.59=0
- libcufile-dev=1.5.0.59=0
- libcurand=10.3.1.50=0
- libcurand-dev=10.3.1.50=0
- libcusolver=11.4.0.1=0
- libcusolver-dev=11.4.0.1=0
- libcusparse=11.7.4.91=0
- libcusparse-dev=11.7.4.91=0
- libdeflate=1.8=h7f8727e_5
- libffi=3.4.2=h6a678d5_6
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libiconv=1.16=h7f8727e_2
- libidn2=2.3.2=h7f8727e_0
- libnpp=11.7.4.75=0
- libnpp-dev=11.7.4.75=0
- libnvjpeg=11.8.0.2=0
- libnvjpeg-dev=11.8.0.2=0
- libpng=1.6.37=hbc83047_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtasn1=4.16.0=h27cfd23_0
- libtiff=4.4.0=hecacb30_2
- libunistring=0.9.10=h27cfd23_0
- libwebp=1.2.4=h11a3e52_0
- libwebp-base=1.2.4=h5eee18b_0
- lz4-c=1.9.3=h295c915_1
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py37h7f8727e_0
- mkl_fft=1.3.1=py37hd3c417c_0
- mkl_random=1.2.2=py37h51133e4_0
- ncurses=6.3=h5eee18b_3
- nettle=3.7.3=hbbd107a_1
- ninja=1.10.2=h06a4308_5
- ninja-base=1.10.2=hd09550d_5
- nsight-compute=2022.4.0.15=0
- numpy-base=1.21.5=py37ha15fc14_3
- openh264=2.1.1=h4ff587b_0
- openssl=1.1.1s=h7f8727e_0
- pip=22.3.1=py37h06a4308_0
- pycparser=2.21=pyhd3eb1b0_0
- pyopenssl=22.0.0=pyhd3eb1b0_0
- pysocks=1.7.1=py37_1
- python=3.7.15=h7a1cb2a_1
- pytorch=1.12.1=py3.7_cuda11.3_cudnn8.3.2_0
- pytorch-cuda=11.7=h67b0de4_1
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.1.0=py37_torch_1.12.0_cu113
- pytorch-sparse=0.6.15=py37_torch_1.12.0_cu113
- pyyaml=6.0=py37h5eee18b_1
- readline=8.2=h5eee18b_0
- requests=2.28.1=py37h06a4308_0
- scipy=1.7.3=py37h6c91a56_2
- setuptools=65.5.0=py37h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- sqlite=3.40.0=h5082296_0
- tk=8.6.12=h1ccaba5_0
- torchaudio=0.12.1=py37_cu113
- torchvision=0.13.1=py37_cu113
- tqdm=4.64.1=py37h06a4308_0
- typing-extensions=4.4.0=py37h06a4308_0
- typing_extensions=4.4.0=py37h06a4308_0
- urllib3=1.26.13=py37h06a4308_0
- wheel=0.37.1=pyhd3eb1b0_0
- xz=5.2.8=h5eee18b_0
- yaml=0.2.5=h7b6447c_0
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.2=ha4553b6_0
- pip:
- absl-py==1.3.0
- alabaster==0.7.12
- appdirs==1.4.4
- astor==0.8.1
- asttokens==2.2.1
- autograd==1.5
- autograd-gamma==0.5.0
- autopep8==2.0.0
- babel==2.11.0
- biotite==0.35.0
- blessed==1.19.1
- cached-property==1.5.2
- cachetools==5.2.0
- charset-normalizer==2.1.1
- click==8.1.3
- colorama==0.4.6
- cycler==0.11.0
- dgl==0.9.1
- dgl-cu113==0.9.1.post1
- dglgo==0.0.2
- docker-pycreds==0.4.0
- docutils==0.19
- executing==1.2.0
- filelock==3.9.0
- fonttools==4.38.0
- formulaic==0.5.2
- gitdb==4.0.10
- gitpython==3.1.30
- google-auth==2.15.0
- google-auth-oauthlib==0.4.6
- gpustat==1.0.0
- graphlib-backport==1.0.3
- grpcio==1.51.1
- huggingface-hub==0.13.2
- icecream==2.1.3
- imagesize==1.4.1
- importlib-metadata==5.1.0
- interface-meta==1.3.0
- isort==5.11.1
- jinja2==3.1.2
- joblib==1.2.0
- kiwisolver==1.4.4
- lifelines==0.27.4
- littleutils==0.2.2
- markdown==3.4.1
- markupsafe==2.1.1
- matplotlib==3.5.3
- msgpack==1.0.4
- networkx==2.6.3
- numpy==1.21.6
- numpydoc==1.5.0
- nvidia-cublas-cu11==11.10.3.66
- nvidia-cuda-nvrtc-cu11==11.7.99
- nvidia-cuda-runtime-cu11==11.7.99
- nvidia-cudnn-cu11==8.5.0.96
- nvidia-ml-py==11.495.46
- oauthlib==3.2.2
- ogb==1.3.5
- outdated==0.2.2
- packaging==22.0
- pandas==1.3.5
- pathtools==0.1.2
- pillow==9.3.0
- pot==0.8.2
- protobuf==3.20.3
- psutil==5.9.4
- pyaml==21.10.1
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pycodestyle==2.10.0
- pydantic==1.10.2
- pygments==2.13.0
- pyparsing==3.0.9
- python-dateutil==2.8.2
- pytz==2022.6
- rdkit-pypi==2022.9.3
- requests-oauthlib==1.3.1
- rsa==4.9
- ruamel-yaml==0.17.21
- ruamel-yaml-clib==0.2.7
- scikit-learn==1.0.2
- seaborn==0.12.1
- sentry-sdk==1.14.0
- setproctitle==1.3.2
- smmap==5.0.0
- snowballstemmer==2.2.0
- sphinx==5.3.0
- sphinxcontrib-applehelp==1.0.2
- sphinxcontrib-devhelp==1.0.2
- sphinxcontrib-htmlhelp==2.0.0
- sphinxcontrib-jsmath==1.0.1
- sphinxcontrib-qthelp==1.0.3
- sphinxcontrib-serializinghtml==1.1.5
- tensorboard==2.11.0
- tensorboard-data-server==0.6.1
- tensorboard-plugin-wit==1.8.1
- threadpoolctl==3.1.0
- timm==0.6.12
- tomli==2.0.1
- torch==1.13.0
- torch-geometric==2.2.0
- typer==0.7.0
- wandb==0.13.9
- wcwidth==0.2.5
- werkzeug==2.2.2
- wrapt==1.14.1
- zipp==3.11.0