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PolyatomicComplexes
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Name
Complexity
Churn
Issues
A
polyatomic_complexes\experiments\metrics.py
1 1 -
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polyatomic_complexes\src\complexes\build_atom_lookup.py
2 3 1
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polyatomic_complexes\src\complexes\building_blocks.py
4 3 -
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polyatomic_complexes\tests\test_polyatoms.py
4 6 -
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polyatomic_complexes\experiments\kernels.py
5 1 -
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polyatomic_complexes\src\experiment\process_mp_jdft2d.py
6 1 -
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polyatomic_complexes\tests\test_large_geom.py
6 7 -
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polyatomic_complexes\src\experiment\process_materials_project.py
7 1 -
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polyatomic_complexes\tests\test_atoms.py
7 5 -
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polyatomic_complexes\src\experiment\process.py
8 1 -
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polyatomic_complexes\experiments\materials_project_experiment.py
10 5 -
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polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 1 1
A
polyatomic_complexes\experiments\mp_matbench_experiment.py
11 4 -
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polyatomic_complexes\experiments\gaussian_process.py
11 4 1
A
polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
12 3 -
A
polyatomic_complexes\src\complexes\force_complex.py
12 1 -
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polyatomic_complexes\experiments\esol_experiment.py
17 3 1
A
polyatomic_complexes\experiments\photoswitches_experiment.py
17 3 1
A
polyatomic_complexes\experiments\freesolv_experiment.py
17 3 1
A
polyatomic_complexes\experiments\lipophilicity_experiment.py
17 3 1