requirements.txt

absl-py==1.4.0
appdirs==1.4.4
appnope==0.1.3
asttokens==2.2.1
backcall==0.2.0
black==23.3.0
cachetools==5.3.1
certifi==2023.5.7
charset-normalizer==3.1.0
click==8.1.3
comm==0.1.3
contourpy==1.1.0
cycler==0.11.0
debugpy==1.6.7
decorator==5.1.1
docker-pycreds==0.4.0
et-xmlfile==1.1.0
executing==1.2.0
fonttools==4.40.0
gitdb==4.0.10
GitPython==3.1.31
google-auth==2.21.0
google-auth-oauthlib==1.0.0
googledrivedownloader==0.4
grpcio==1.56.0
idna==3.4
importlib-metadata==6.7.0
importlib-resources==5.12.0
ipykernel==6.23.2
ipython==8.14.0
isodate==0.6.1
isort==5.12.0
jedi==0.18.2
Jinja2==3.1.2
joblib==1.2.0
jupyter_client==8.2.0
jupyter_core==5.3.1
kiwisolver==1.4.4
Markdown==3.4.3
MarkupSafe==2.1.3
matplotlib==3.7.1
matplotlib-inline==0.1.6
mypy-extensions==1.0.0
nest-asyncio==1.5.6
networkx==3.1
numpy==1.25.0
oauthlib==3.2.2
openpyxl==3.1.2
packaging==23.1
pandas==2.0.2
parso==0.8.3
pathspec==0.11.1
pathtools==0.1.2
pexpect==4.8.0
pickleshare==0.7.5
Pillow==9.5.0
platformdirs==3.8.0
prompt-toolkit==3.0.38
protobuf==4.23.4
psutil==5.9.5
ptyprocess==0.7.0
pure-eval==0.2.2
pyasn1==0.5.0
pyasn1-modules==0.3.0
Pygments==2.15.1
pyparsing==3.1.0
python-dateutil==2.8.2
pytz==2023.3
PyYAML==6.0
pyzmq==25.1.0
rdflib==6.3.2
rdkit-pypi==2022.9.5
requests==2.31.0
requests-oauthlib==1.3.1
rsa==4.9
scikit-learn==1.2.2
scipy==1.10.1
seaborn==0.12.2
sentry-sdk==1.27.1
setproctitle==1.3.2
six==1.16.0
smmap==5.0.0
stack-data==0.6.2
tensorboard==2.13.0
tensorboard-data-server==0.7.1
threadpoolctl==3.1.0
tikzplotlib==0.10.1
tomli==2.0.1
torch==1.10.0
torch-cluster==1.6.1
torch-geometric==2.0.2
torch-scatter==2.1.1
torch-sparse==0.6.14
torch-spline-conv==1.2.2
torchaudio==0.10.2
torchvision==0.11.2
tornado==6.3.2
tqdm==4.65.0
traitlets==5.9.0
typing_extensions==4.6.3
tzdata==2023.3
urllib3==1.26.16
wandb==0.15.5
wcwidth==0.2.6
webcolors==1.13
Werkzeug==2.3.6
yacs==0.1.8
zipp==3.15.0