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| Dependency | Optional | Group |
|---|---|---|
| matplotlib | false | |
| numpy | false | |
| scipy | false | |
| typing-extensions | false |
| Package | Optional | Group |
|---|---|---|
| abipy | false | |
| aflow | false | |
| alignn | false | |
| ase-db-backends | false | |
| asebytes | false | |
| boltztrap2 | false | |
| calorine | false | |
| chgnet | false | |
| doped | false | |
| dscribe | false | |
| easyunfold | false | |
| fairchem-core | false | |
| fairchem-data-oc | false | |
| gpaw | false | |
| hiphive | false | |
| m3gnet | false | |
| mace-torch | false | |
| matbench-discovery | false | |
| matcalc | false | |
| matgl | false | |
| matscipy | false | |
| mattersim | false | |
| metatrain | false | |
| mlipx | false | |
| molify | false | |
| nequip | false | |
| nequix | false | |
| orb-models | false | |
| pymatgen-analysis-diffusion | false | |
| pynsid | false | |
| pyxtal | false | |
| quacc | false | |
| quippy-ase | false | |
| rdkit2ase | false | |
| rootstock | false | |
| sella | false | |
| sevenn | false | |
| shakenbreak | false | |
| sidpy | false | |
| tensorpotential | false | |
| torch-dftd | false | |
| x3dase | false | |
| zndraw | false | |
| znh5md | false | |
| aimnet | true | ase |
| atomate2 | true | ase |
| atomman | true | convert |
| cclib | true | bridges |
| deepmd-kit | true | test |
| dftd4 | true | ase |
| dpdata | true | ase |
| ipi | true | dev |
| matminer | true | mpds |
| moyopy | true | interface |
| nglview | true | ase |
| nvalchemi-toolkit | true | ase |
| optuna | true | document |
| pymatgen | true | ase |
| pymatgen-core | true | ase |
| pysisyphus | true | test |
| tblite | true | ase |
| torch-geometric | true | full |
| torch-sim-atomistic | true | io |
| torch-spex | true | dev |
| mypy | true | lint |
| pillow | true | docs |
| pytest | true | test |
| pytest-xdist | true | test |
| ruff | true | lint |
| spglib | true | spglib |
| sphinx | true | docs |
| sphinx-book-theme | true | docs |
| sphinx-gallery | true | docs |
| sphinxcontrib-video | true | docs |
| types-docutils | true | lint |
| types-pymysql | true | lint |