ase
metatensor-learn==0.3.1
metatensor-operations==0.3.2
metatensor-torch==0.7.5
jsonschema
omegaconf
python-hostlist
vesin

[gap]
featomic-torch<0.7,>=0.6
skmatter
scipy

[nanopet]

[nativepet]

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

[soap-bpnn]
featomic-torch<0.7,>=0.6
wigners
