ase
huggingface_hub
metatensor-learn<0.4,>=0.3.2
metatensor-operations<0.4,>=0.3.4
metatensor-torch<0.8,>=0.7.6
metatomic-torch<0.2,>=0.1.2
jsonschema
omegaconf>=2.3.0
python-hostlist
tqdm
vesin

[deprecated-pet]
pet-neighbors-convert
torch_geometric
matscipy
scikit-learn
pathos
scipy

[gap]
featomic-torch<0.8,>=0.7
skmatter
scipy

[nanopet]

[pet]

[soap-bpnn]
torch-spex<0.2,>=0.1
wigners
