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Dependencies
- ase
- mendeleev >=1.0.0
- meson
- mpmath
- ninja
- numpy >=2
- openpmd-api
- optuna
- pandas
- scikit-spatial
- scipy
- sympy
- tensorboard
- torch
- tqdm
15 optional dependencies
- asap3[experimental]
- bump2version[dev]
- dftpy[experimental]
- docutils[doc]
- minterpy[experimental]
- mpi4py[mpi]
- myst-parser[doc]
- oapackage[opt]
- pytest[test]
- pytest-cov[test]
- scikit-learn[opt]
- sphinx[doc]
- sphinx-copybutton[doc]
- sphinx-markdown-tables[doc]
- sphinx-rtd-theme[doc]