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PolyatomicComplexes
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Complexity
Churn
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A
polyatomic_complexes\src\complexes\force_complex.py
12 2 -
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polyatomic_complexes\experiments\kernels.py
5 2 -
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polyatomic_complexes\experiments\load_process_data.py
26 2 1
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polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 2 1
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polyatomic_complexes\experiments\metrics.py
1 2 -
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polyatomic_complexes\src\experiment\process_esol.py
8 1 -
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polyatomic_complexes\src\experiment\__init__.py
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polyatomic_complexes\src\__init__.py
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polyatomic_complexes\src\experiment\process_lipophilicity.py
8 1 -
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polyatomic_complexes\src\experiment\process_freesolv.py
8 1 -
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mkdocs.yml
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polyatomic_complexes\src\experiment\process_materials_project.py
7 1 -
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polyatomic_complexes\src\experiment\process_mp_jdft2d.py
6 1 -
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.github\workflows\build_mat.yml
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polyatomic_complexes\__init__.py
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polyatomic_complexes\src\experiment\process_photoswitches.py
8 1 -
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polyatomic_complexes\tests\test_atoms.py
7 1 -
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.github\workflows\build.yml
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polyatomic_complexes\src\complexes\building_blocks.py
6 1 -
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polyatomic_complexes\src\complexes\core_utils.py
30 1 -