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| Dependency | Optional | Group |
|---|---|---|
| h5py | false | |
| numpy | false | |
| nvalchemi-toolkit-ops | false | |
| tables | false |
| Package | Optional | Group |
|---|---|---|
| mattersim | false | |
| metatomic-torchsim | false | |
| aimnet | true | torchsim |
| atomate2 | true | torchsim |
| fairchem-core | true | torchsim |
| mace-torch | true | torchsim |
| nequix | true | torch-sim |
| orb-models | true | torchsim |
| quacc | true | torchsim |
| sevenn | true | torchsim |
| torch | false |
| tqdm | false |
| ase | true | io |
| autodoc-pydantic | true | docs |
| duecredit | true | docs |
| fairchem-core | true | fairchem |
| furo | true | docs |
| ipykernel | true | docs |
| ipython | true | docs |
| jsonschema | true | docs |
| jupyter-core | true | docs |
| jupyterlab | true | docs |
| jupytext | true | docs |
| mace-torch | true | mace |
| mattersim | true | mattersim |
| metatomic-ase | true | metatomic |
| metatomic-torchsim | true | metatomic |
| moyopy | true | symmetry |
| myst-parser | true | docs |
| nbsphinx | true | docs |
| nequip | true | nequip |
| nequix | true | nequix |
| numpydoc | true | docs |
| orb-models | true | orb |
| phono3py | true | mattersim |
| phonopy | true | io |
| physical-validation | true | test |
| platformdirs | true | test |
| psutil | true | test |
| pymatgen | true | io |
| pytest | true | test |
| pytest-cov | true | test |
| sevenn | true | sevenn |
| spglib | true | test |
| sphinx | true | docs |
| sphinx-copybutton | true | docs |
| sphinx-design | true | docs |
| upet | true | metatomic |
| vesin | true | vesin |