biotite
einops>=0.8.1
fastpdb
numpy>=2
optree
pooch
torch
tqdm

[all]
beignet[datasets,docs,mdtraj,test]

[datasets]
biopython
lmdb
pandas
pooch

[docs]
mkdocs-material
mkdocstrings[python]

[mdtraj]
mdtraj

[test]
hypothesis
pytest
pytest-mock
scipy
