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PolyatomicComplexes
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Name
Complexity
Churn
Issues
A
polyatomic_complexes\src\complexes\build_atom_lookup.py
2 2 1
A
polyatomic_complexes\tests\test_polyatoms.py
4 2 -
A
polyatomic_complexes\experiments\kernels.py
5 2 -
A
polyatomic_complexes\src\experiment\process_mp_jdft2d.py
6 1 -
A
polyatomic_complexes\tests\test_large_geom.py
6 13 -
A
polyatomic_complexes\src\complexes\building_blocks.py
6 1 -
A
polyatomic_complexes\src\experiment\process_materials_project.py
7 1 -
A
polyatomic_complexes\tests\test_atoms.py
7 1 -
A
polyatomic_complexes\src\experiment\process_esol.py
8 1 -
A
polyatomic_complexes\src\experiment\process_freesolv.py
8 1 -
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
8 1 -
A
polyatomic_complexes\src\experiment\process_photoswitches.py
8 1 -
A
polyatomic_complexes\experiments\gaussian_process.py
11 3 1
A
polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 2 1
A
polyatomic_complexes\src\complexes\force_complex.py
12 2 -
A
polyatomic_complexes\tests\test_kchains.py
19 13 1
A
polyatomic_complexes\experiments\experiment_runner.py
20 2 -
A
polyatomic_complexes\src\complexes\polyatomic_complex.py
23 3 3
A
polyatomic_complexes\experiments\load_process_data.py
26 2 1
A
polyatomic_complexes\src\complexes\general_utils.py
29 3 1