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| Dependency | Optional | Group |
|---|---|---|
| ase | false | |
| boto3 | false | |
| huggingface_hub | false | |
| lightning | false | |
| numpy | false | |
| pydantic | false | |
| pymatgen-core | false | |
| torch | false | |
| torch-geometric | false | |
| torchdata | false | |
| jax | true | jax |
| nvalchemi-toolkit | true | alchmtk |
| nvalchemi-toolkit-ops | true | ops |