pandas
numpy
torch
torch-geometric
networkx
plotly
matplotlib
pyyaml
rdkit
regex
tqdm
psutil

[:python_version < "3.10"]
importlib-resources

[docs]
sphinx>=4.0
sphinx-rtd-theme
sphinx-autodoc-typehints
sphinx-design
sphinx-copybutton
myst-parser
shibuya

[test]
pytest>=6.1.2
