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| Dependency | Optional | Group |
|---|---|---|
| ase | false | |
| huggingface-hub | false | |
| joblib | false | |
| phono3py | false |
| Package | Optional | Group |
|---|---|---|
| pymatgen | true | matcalc |
| pymatgen-core | true | matcalc |
| quacc | true | mlip |
| phonopy | false |
| pymatgen | false |
| scikit-learn | false |
| codecov-cli | true | ci |
| coverage | true | ci |
| coveralls | true | ci |
| deepmd-kit | true | deepmd |
| fairchem-core | true | fairchem |
| ipython | true | ci |
| jupyter | true | ci |
| mace-torch | true | mace |
| maml | true | maml |
| matgl | true | matgl |
| matminer | true | benchmark |
| mattersim | true | mattersim |
| mp-api | true | ci |
| nbmake | true | ci |
| orb-models | true | orb |
| pet-mad | true | petmad |
| pre-commit | true | ci |
| pynanoflann | true | orb |
| pytest | true | ci |
| pytest-cov | true | ci |
| seekpath | true | phonon |
| setuptools | true | ci |
| sevenn | true | sevennet |
| tensorpotential | true | grace |