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| Dependency | Optional | Group |
|---|---|---|
| click | false | |
| custodian | false | |
| emmet-core | false | |
| jobflow | false |
| monty | false |
| numpy | false |
| pydantic | false |
| pydantic-settings | false |
| pymatgen | false |
| pymongo | false |
| pyyaml | false |
| abipy | true | abinit |
| amset | true | amset |
| ase | true | ase |
| calorine | true | strict-forcefields-generic |
| cclib | true | cclib |
| chgnet | true | forcefields-demo |
| deepmd-kit | true | strict-forcefields-generic |
| dscribe | true | defects |
| fireworks | true | fireworks |
| ijson | true | lobster |
| lobsterpy | true | lobster |
| mace-torch | true | strict-forcefields-e3nn-limited |
| matgl | true | strict-forcefields-torch-limited |
| mdanalysis | true | openmm |
| mp-api | true | mp |
| nequip | true | strict-forcefields-torch-limited |
| nequip-allegro | true | strict-forcefields-numpy-limited |
| netcdf4 | true | abinit |
| numba | true | strict |
| openmm | true | openmm |
| openmm-mdanalysis-reporter | true | openmm |
| phonopy | true | phonons |
| pydash | true | amset |
| pymatgen-analysis-defects | true | defects |
| pymatgen-analysis-diffusion | true | approxneb |
| pymatgen-io-aims | true | aims |
| python-ulid | true | defects |
| quippy-ase | true | strict-forcefields-generic |
| seekpath | true | phonons |
| sevenn | true | strict-forcefields-generic |
| tblite | true | ase-ext |
| tensorflow | true | strict-forcefields-generic |
| tensorflow-cpu | true | strict-forcefields-generic |
| torch-dftd | true | strict-forcefields-e3nn-limited |
| torch-sim-atomistic | true | torchsim |
| upet | true | strict-forcefields-generic |
| wandb | true | strict-forcefields-generic |