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| Dependency | Optional | Group |
|---|---|---|
| ase | false | |
| cython | false | |
| numpy | false | |
| nvidia-ml-py3 | false | |
| pymatgen | false | |
| torch | false | |
| typing-extensions | false | |
| crystal-toolkit | true | examples |
| dftd4 | true | dispersion |
| lazydocs | true | docs |
| pandas | true | examples |
| pytest | true | test |
| pytest-cov | true | test |
| torch-dftd | true | dispersion |
| wandb | true | test |