requirements.txt

aiohttp==3.9.3
aiosignal==1.3.1
async-timeout==4.0.3
attrs==23.2.0
black==24.3.0
certifi==2024.2.2
charset-normalizer==3.3.2
click==8.1.7
contourpy==1.2.0
cycler==0.12.1
exceptiongroup==1.2.0
filelock==3.13.3
fonttools==4.50.0
frozenlist==1.4.1
fsspec==2024.3.1
idna==3.6
importlib-resources==6.4.0
iniconfig==2.0.0
Jinja2==3.1.3
joblib==1.3.2
kiwisolver==1.4.5
lightning-utilities==0.11.2
MarkupSafe==2.1.5
matplotlib==3.5.3
mpmath==1.3.0
multidict==6.0.5
mypy-extensions==1.0.0
networkx==3.2.1
numpy==1.26.4
packaging==24.0
pathspec==0.12.1
pillow==10.2.0
platformdirs==4.2.0
pluggy==1.4.0
psutil==5.9.8
pyparsing==3.1.2
pytest==8.1.1
python-dateutil==2.9.0.post0
rdkit==2023.9.5
requests==2.31.0
scikit-learn==1.4.1.post1
scipy==1.12.0
six==1.16.0
sympy==1.12
threadpoolctl==3.4.0
tomli==2.0.1
torch==2.2.2
torch-geometric==2.5.2
torch-vision==0.1.6.dev0
torchmetrics==1.3.2
tqdm==4.66.2
typing-extensions==4.10.0
urllib3==2.2.1
yarl==1.9.4
zipp==3.18.1