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Dependencies
- ase >=3.26.0
- beartype
- blackjax >=1.5
- defusedxml >=0.7.1
- equinox >=0.13.8
- flatbuffers >=25.12.19
- h5py >=3.15.1
- jax >=0.9.2
- jaxtyping >=0.3.0
- matplotlib >=3.10.0
- numpy >=2.2.1
- optax >=0.2.8
- optimistix >=0.1.0
- pymatgen >=2025.10.7
- scipy >=1.14.1
- tifffile >=2026.3.3
35 optional dependencies
- build[dev]
- chex[test]
- furo[docs]
- hypothesis[test]
- interrogate[dev]
- ipykernel[notebooks]
- ipython[notebooks]
- ipywidgets[notebooks]
- jax[cuda]
- jupyter[notebooks]
- jupytext[docs]
- jupytext[notebooks]
- myst-nb[notebooks]
- myst-nb[docs]
- nbclient[notebooks]
- nbconvert[notebooks]
- nglview[notebooks]
- numpydoc[docs]
- nvidia-cudnn-cu12[cuda]
- pre-commit[dev]
- pydoclint[docs]
- pygount[dev]
- pyright[dev]
- pytest[test]
- pytest-cov[test]
- pytest-xdist[test]
- rheedium[all]
- rheedium[dev]
- rheedium[dev-cuda]
- ruff[dev]
- sphinx[docs]
- sphinx-autobuild[docs]
- sphinx-autodoc-typehints[docs]
- sphinx-rtd-theme[docs]
- ty[dev]