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PolyatomicComplexes
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A
polyatomic_complexes\experiments\mp_matbench_experiment.py
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.github\workflows\ci.yml
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polyatomic_complexes\src\complexes\atomic_complex.py
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polyatomic_complexes\experiments\materials_project_experiment.py
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polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
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polyatomic_complexes\experiments\__init__.py
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polyatomic_complexes\src\complexes\__init__.py
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polyatomic_complexes\src\complexes\building_blocks.py
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.github\workflows\documentation.yml
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.github\dependabot.yml
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polyatomic_complexes\__init__.py
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polyatomic_complexes\experiments\kernels.py
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.github\workflows\build_mat.yml
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polyatomic_complexes\experiments\metrics.py
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.github\workflows\build.yml
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polyatomic_complexes\src\complexes\force_complex.py
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polyatomic_complexes\src\complexes\core_utils.py
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polyatomic_complexes\src\__init__.py
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.github\workflows\build_graph.yml
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mkdocs.yml
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