├── .gitignore ├── .pre-commit-config.yaml ├── .python-version ├── .readthedocs.yaml ├── Contributing.md ├── LICENSE ├── README.md ├── configs ├── default.yaml └── disordered_structures.yaml ├── docs ├── Makefile ├── make.bat └── source │ ├── _templates │ ├── autoapi │ │ └── index.rst │ └── partials │ │ └── webfonts.html │ ├── about.rst │ ├── conf.py │ └── index.rst ├── pyproject.toml ├── requirements_slices.txt ├── src ├── examples │ └── experiments_external_datasets.ipynb └── material_hasher │ ├── __init__.py │ ├── benchmark │ ├── __init__.py │ ├── disordered.py │ ├── run_disordered.py │ ├── run_time.py │ ├── run_transformations.py │ ├── transformations.py │ └── utils.py │ ├── hasher │ ├── __init__.py │ ├── base.py │ ├── bawl.py │ ├── example.py │ ├── slices.py │ └── utils │ │ ├── composition.py │ │ ├── graph.py │ │ ├── graph_structure.py │ │ └── symmetry.py │ ├── py.typed │ ├── similarity │ ├── __init__.py │ ├── base.py │ ├── eqv2.py │ ├── pdd.py │ ├── structure_matchers.py │ └── utils │ │ └── utils_experiments.py │ ├── tests │ ├── __init__.py │ └── benchmark │ │ ├── __init__.py │ │ └── test_run.py │ └── types.py └── uv.lock /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/LeMaterial/lematerial-hasher/HEAD/.gitignore -------------------------------------------------------------------------------- /.pre-commit-config.yaml: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/LeMaterial/lematerial-hasher/HEAD/.pre-commit-config.yaml -------------------------------------------------------------------------------- /.python-version: -------------------------------------------------------------------------------- 1 | 3.10 2 | -------------------------------------------------------------------------------- /.readthedocs.yaml: -------------------------------------------------------------------------------- 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