ase
huggingface_hub
numpy
metatensor-learn<0.6,>=0.5.0
metatensor-operations<0.6,>=0.5.0
metatensor-torch<0.11,>=0.10.0
metatomic-torch<0.2,>=0.1.15
metatomic-ase<0.2,>=0.1.1
jsonschema
pydantic>=2.12
typing_extensions
omegaconf>=2.3.0
python-hostlist
tqdm
vesin>=0.5.2

[classifier]

[dpa3]
deepmd-kit[torch]>=3.1.0
torch>=2.7

[flashmd]

[flashmd-symplectic]

[gap]
featomic-torch<0.8,>=0.7.4
skmatter
scipy

[llpr]

[mace]
mace-torch<0.3.15,>=0.3.14
e3nn

[pet]

[phace]
physical_basis
wigners
opt-einsum

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

[soap-bpnn:platform_system == "Windows"]
sphericart-torch==1.0.8
