rdkit>=2023.03
networkx>=3.0
numpy
scipy>=1.10

[all]
rbfe-network-map[amber,amber-mol2,docs,kartograf,test,viz]

[amber]
pyyaml

[amber-mol2]
rdk-amber

[docs]
numpydoc
sphinx
sphinx-copybutton
sphinx-rtd-theme

[kartograf]
kartograf
gufe

[test]
pytest
pytest-cov
rbfe-network-map[amber,viz]

[viz]
pillow
