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requirements.txt
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absl-py==2.1.0
alabaster==0.7.13
annotated-types==0.6.0
appdirs==1.4.4
autopep8==2.0.4
babel==2.14.0
cachetools==5.3.3
certifi==2023.7.22
charset-normalizer==3.3.2
click==8.1.7
cmake==3.27.7
contourpy==1.1.1
cycler==0.12.1
dgl==2.0.0+cu117
dglgo==0.0.2
docker-pycreds==0.4.0
docutils==0.20.1
filelock==3.13.1
fonttools==4.49.0
future==1.0.0
gitdb==4.0.11
gitpython==3.1.40
google-auth-oauthlib==1.0.0
google-auth==2.28.1
grpcio==1.62.0
idna==3.4
imageio==2.34.0
imagesize==1.4.1
importlib-metadata==7.0.1
importlib-resources==6.1.2
isort==5.13.2
jinja2==3.1.2
joblib==1.3.2
kiwisolver==1.4.5
lit==17.0.5
littleutils==0.2.2
markdown==3.5.2
markupsafe==2.1.3
matplotlib==3.7.5
mpmath==1.3.0
networkx==3.1
numpy==1.24.4
numpydoc==1.6.0
nvidia-cublas-cu11==11.10.3.66
nvidia-cuda-cupti-cu11==11.7.101
nvidia-cuda-nvrtc-cu11==11.7.99
nvidia-cuda-runtime-cu11==11.7.99
nvidia-cudnn-cu11==8.5.0.96
nvidia-cufft-cu11==10.9.0.58
nvidia-curand-cu11==10.2.10.91
nvidia-cusolver-cu11==11.4.0.1
nvidia-cusparse-cu11==11.7.4.91
nvidia-nccl-cu11==2.14.3
nvidia-nvtx-cu11==11.7.91
oauthlib==3.2.2
ogb==1.3.6
outdated==0.2.2
packaging==23.2
pandas==2.0.3
pillow==10.2.0
pip==24.0
protobuf==4.25.1
psutil==5.9.6
pyasn1-modules==0.3.0
pyasn1==0.5.1
pycodestyle==2.11.1
pydantic-core==2.14.6
pydantic==2.5.3
pygments==2.17.2
pyparsing==3.1.1
python-dateutil==2.8.2
pytz==2023.3.post1
pyyaml==6.0.1
rdkit-pypi==2022.9.5
requests-oauthlib==1.3.1
requests==2.31.0
rsa==4.9
ruamel.yaml.clib==0.2.8
ruamel.yaml==0.18.5
scikit-learn==1.3.2
scipy==1.10.1
sentry-sdk==1.39.0
setproctitle==1.3.3
setuptools==68.2.0
six==1.16.0
smmap==5.0.1
snowballstemmer==2.2.0
sphinx==7.1.2
sphinxcontrib-applehelp==1.0.4
sphinxcontrib-devhelp==1.0.2
sphinxcontrib-htmlhelp==2.0.1
sphinxcontrib-jsmath==1.0.1
sphinxcontrib-qthelp==1.0.3
sphinxcontrib-serializinghtml==1.1.5
sympy==1.12
tabulate==0.9.0
tensorboard-data-server==0.7.2
tensorboard==2.14.0
test-tube==0.7.5
threadpoolctl==3.2.0
tomli==2.0.1
torch-geometric==2.2.0
torch-scatter==2.1.2+pt20cu117
torch-sparse==0.6.18+pt20cu117
torch==2.0.0
torchdata==0.7.1
tqdm==4.66.1
triton==2.0.0
typer==0.9.0
typing-extensions==4.8.0
tzdata==2023.4
urllib3==2.1.0
wandb==0.16.1
werkzeug==3.0.1
wheel==0.41.2
zipp==3.17.0