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PolyatomicComplexes
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Complexity
Churn
Issues
A
.github\workflows\ci.yml
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polyatomic_complexes\tests\test_large_geom.py
7 7 -
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polyatomic_complexes\tests\test_polyatoms.py
5 6 -
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polyatomic_complexes\experiments\materials_project_experiment.py
21 5 -
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.github\workflows\build.yml
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setup.py
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requirements\requirements.txt
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.github\workflows\build_graph.yml
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polyatomic_complexes\tests\test_atoms.py
8 5 -
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.github\workflows\build_mat.yml
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polyatomic_complexes\__init__.py
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polyatomic_complexes\experiments\mp_matbench_experiment.py
19 4 -
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polyatomic_complexes\tests\test_small_quantum.py
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polyatomic_complexes\experiments\gaussian_process.py
18 4 1
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polyatomic_complexes\src\complexes\__init__.py
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polyatomic_complexes\experiments\load_process_data.py
87 3 19
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polyatomic_complexes\src\complexes\general_utils.py
44 3 1
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polyatomic_complexes\src\complexes\build_atom_lookup.py
5 3 1
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polyatomic_complexes\experiments\freesolv_experiment.py
26 3 1
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polyatomic_complexes\experiments\esol_experiment.py
26 3 1