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requirements.txt
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requirements.txt
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appdirs==1.4.4
asttokens==2.2.1
attrs==22.2.0
backcall==0.2.0
certifi==2022.12.7
charset-normalizer==3.0.1
click==8.1.3
colorama==0.4.6
comm==0.1.3
debugpy==1.6.7
decorator==5.1.1
docker-pycreds==0.4.0
exceptiongroup==1.1.1
executing==1.2.0
expecttest==0.1.4
gitdb==4.0.10
GitPython==3.1.30
hypothesis==6.71.0
idna==3.4
ipykernel==6.22.0
ipython==8.13.1
ipywidgets==8.0.6
jedi==0.18.2
Jinja2==3.1.2
joblib==1.2.0
jupyter_client==8.2.0
jupyter_core==5.3.0
jupyterlab-widgets==3.0.7
MarkupSafe==2.1.2
matplotlib-inline==0.1.6
nest-asyncio==1.5.6
networkx==3.0
numpy==1.24.2
packaging==23.1
parso==0.8.3
pathtools==0.1.2
pickleshare==0.7.5
Pillow==9.4.0
platformdirs==3.5.0
prompt-toolkit==3.0.38
protobuf==4.21.12
psutil==5.9.4
PubChemPy==1.0.4
pure-eval==0.2.2
Pygments==2.15.1
pyparsing==3.0.9
python-dateutil==2.8.2
pywin32==306
PyYAML==6.0
pyzmq==25.0.2
rdkit==2022.9.4
requests==2.28.2
scikit-learn==1.2.1
scipy==1.10.0
sentry-sdk==1.14.0
setproctitle==1.3.2
six==1.16.0
smmap==5.0.0
sortedcontainers==2.4.0
stack-data==0.6.2
threadpoolctl==3.1.0
torch==1.13.1+cu117
torch-cluster==1.6.0+pt113cu117
torch-geometric==2.2.0
torch-scatter==2.1.0+pt113cu117
torch-sparse==0.6.16+pt113cu117
torch-spline-conv==1.2.1+pt113cu117
torchaudio==0.13.1+cu117
torchvision==0.14.1+cu117
tornado==6.3.1
tqdm==4.64.1
traitlets==5.9.0
typing_extensions==4.4.0
ujson==5.7.0
urllib3==1.26.14
wandb==0.13.9
wcwidth==0.2.6
wget==3.2
widgetsnbextension==4.0.7