© 2025-2026 PySpect
| Dependency | Optional | Group |
|---|---|---|
| pymatgen-core | false | |
| ase | true | ase |
| beautifulsoup4 | true | optional |
| chemview | true | optional |
| Package | Optional | Group |
|---|---|---|
| abipy | false | |
| amset | false | |
| atomate2 | false | |
| chgnet | false | |
| crystal-toolkit | false | |
| doped | false | |
| emmet-core | false | |
| fairchem-data-oc | false | |
| fairchem-data-omat | false | |
| ifermi | false | |
| lobsterpy | false | |
| m3gnet | false | |
| maml | false | |
| matbench-discovery | false | |
| matcalc | false | |
| matminer | false | |
| matpes | false | |
| mattersim | false | |
| megnet | false | |
| mp-api | false | |
| mp-pyrho | false | |
| mpcontribs-client | false | |
| nonrad | false | |
| pymatgen-analysis-alloys | false | |
| pymatgen-analysis-defects | false | |
| pymatgen-analysis-diffusion | false | |
| pymatgen-io-aims | false | |
| pymatgen-io-validation | false | |
| pymatviz | false | |
| pyxtal | false | |
| robocrys | false | |
| shakenbreak | false | |
| sumo | false | |
| torch-dftd | false | |
| vise | false | |
| atomman | true | convert |
| average-minimum-distance | true | pymatgen |
| custodian | true | matsci |
| dpdata | true | pymatgen |
| dscribe | true | dev |
| fairchem-core | true | extras |
| galore | true | vasp |
| maggma | true | vasp |
| moyopy | true | interface |
| nvalchemi-toolkit | true | pymatgen |
| py4dstem | true | acom |
| torch-sim-atomistic | true | io |
| f90nml | true | optional |
| galore | true | optional |
| h5py | true | optional |
| hiphive | true | optional |
| jarvis-tools | true | optional |
| matcalc | true | matcalc |
| matgl | true | matcalc |
| moyopy | true | symmetry |
| netcdf4 | true | abinit |
| numba | true | numba |
| numpy | true | numpy-v1 |
| phonopy | true | optional |
| pymatgen-analysis-alloys | true | optional |
| pyxtal | true | prototypes |
| pyzeo | true | zeopp |
| seekpath | true | optional |
| spglib | true | symmetry |
| tblite | true | tblite |
| vtk | true | vis |