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Dependencies
- matplotlib >=3.5.2
- numpy >=1.21.6
- scipy >=1.8.1
- typing-extensions >=4.13.1
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
- matscipy
- ase-db-backends
- quests
- nequix
- chgnet
- fairchem-core
- mattersim
- torch-dftd
- mace-torch
- dscribe
- metatrain
- nequip
- sevenn
- smact
- sella
- orb-models
- matgl
- matid
- schnetpack
- molify
- py4vasp
- icet
- hiphive
- clease
- matbench-discovery
- shakenbreak
- aflow
- kups
- chemeleon-dng
- doped
- calorine
- neptrainkit
- wulffpack
- quacc
- v-ase-gui
- molid
- pymatgen-analysis-diffusion
- aenet-gpr
- colabfit-kit
- tb2j
- fastatomstruct
- pynxtools
- rapmat
- torchani
- alignn
- ai2-kit
- pymdkit
- aiida-pythonjob
- nomad-parser-plugins-atomistic