torch>=2.0.1
torch-geometric>=2.3.1
torchmetrics==0.11.4
tqdm==4.64.1
rdkit-pypi==2022.9.5
networkx==2.6.3
platformdirs==2.6.2
typer==0.9.0
lightning==2.0.6
descriptastorus==2.6.1

[:python_version < "3.8"]
importlib-metadata

[testing]
setuptools
pytest
pytest-cov
