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Dependencies
- ase
- numpy <3
- pandarallel >=1.6.5
- pandas
- pathos
- pymatgen >=2024.2.20
- scipy
- spglib >=2.6.0
- tabulate
- tqdm
- typing-extensions
54 optional dependencies
- ase[strict]
- ase[optional]
- aviary-models[property-prediction]
- blacken-docs[dev]
- codespell[dev]
- dash[visualisation]
- dash[strict]
- dash[optional]
- elementembeddings[crystal-space]
- elementembeddings[featurisers]
- elementembeddings[optional]
- elementembeddings[strict]
- kaleido[crystal-space]
- kaleido[optional]
- kaleido[strict]
- llvmlite[optional]
- matminer[strict]
- matminer[optional]
- matminer[featurisers]
- matplotlib-venn[optional]
- mp-api[strict]
- mp-api[mp]
- myst-nb[docs]
- nbstripout[dev]
- numpy[strict]
- pandarallel[optional]
- pydantic[strict]
- pydantic[optional]
- pymatgen[optional]
- pymatgen[strict]
- pymatviz[strict]
- pymatviz[visualisation]
- pyright[dev]
- pytest[dev]
- pytest-cov[dev]
- readthedocs-sphinx-search[docs]
- requests[property-prediction]
- ruff[dev]
- seaborn[visualisation]
- seaborn[strict]
- shap[ml]
- smact[ml]
- smact[optional]
- smact[crystal-space]
- sphinx[docs]
- sphinx-book-theme[docs]
- sphinx-rtd-theme[docs]
- tabulate[strict]
- torch[property-prediction]
- tornado[docs]
- tqdm[strict]
- umap-learn[crystal-space]
- umap-learn[strict]
- xgboost[ml]