ase
huggingface_hub
numpy
metatensor-learn<0.5,>=0.4.0
metatensor-operations<0.5,>=0.4.0
metatensor-torch<0.9,>=0.8.2
metatomic-torch<0.2,>=0.1.6
jsonschema
pydantic>=2.12
typing_extensions
omegaconf>=2.3.0
python-hostlist
tqdm
vesin

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

[llpr]

[nanopet]

[pet]

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