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Dependencies
- ase
- huggingface-hub
- jsonschema
- 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,>=0.1.8
- numpy
- omegaconf >=2.3.0
- pydantic >=2.12
- python-hostlist
- tqdm
- typing-extensions
- vesin >=0.5.2
7 optional dependencies
- e3nn[mace]
- featomic-torch[gap]
- mace-torch[mace]
- scipy[gap]
- skmatter[gap]
- torch-spex[soap-bpnn]
- wigners[soap-bpnn]