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Dependencies
- matplotlib >=3.5.2
- numpy >=1.21.6
- scipy >=1.8.1
12 optional dependencies
- mypy[lint]
- pillow[docs]
- pytest[test]
- pytest-xdist[test]
- ruff[lint]
- spglib[spglib]
- sphinx[docs]
- sphinx-book-theme[docs]
- sphinx-gallery[docs]
- sphinxcontrib-video[docs]
- types-docutils[lint]
- types-pymysql[lint]
Used By
- pyxtal
- quests
- quacc
- matscipy
- ase-db-backends
- mattersim
- torch-dftd
- nequix
- sevenn
- clease
- nequip
- dscribe
- pymatgen-analysis-diffusion
- fairchem-core
- py4vasp
- icet
- mace-torch
- chgnet
- colabfit-kit
- matgl
- smact
- sella
- orb-models
- schnetpack
- matbench-discovery
- aflow
- matid
- neptrainkit
- molify
- chemeleon-dng
- metatrain
- aenet-gpr
- tb2j
- ai2-kit
- molid
- oximachine-featurizer
- hiphive
- alignn
- aiida-pythonjob
- janus-core
- doped
- kups
- shakenbreak
- quippy-ase
- nomad-parser-plugins-atomistic
- nomad-parser-plugins-workflow
- torchani
- fastatomstruct
- pynxtools
- znh5md