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PolyatomicComplexes
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Complexity
Churn
Issues
A
polyatomic_complexes\src\experiment\process_lipophilicity.py
0 2 -
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polyatomic_complexes\src\complexes\quantum_complex.py
43 2 1
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polyatomic_complexes\src\experiment\process_photoswitches.py
0 2 -
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mkdocs.yml
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polyatomic_complexes\tests\test_geom_unique.py
41 3 8
F
polyatomic_complexes\experiments\load_process_data.py
55 3 19
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 3 1
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polyatomic_complexes\experiments\esol_experiment.py
17 3 1
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polyatomic_complexes\experiments\photoswitches_experiment.py
17 3 1
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polyatomic_complexes\experiments\freesolv_experiment.py
17 3 1
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polyatomic_complexes\src\complexes\__init__.py
 3 -
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polyatomic_complexes\src\complexes\atomic_complex.py
35 3 -
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polyatomic_complexes\src\complexes\build_atom_lookup.py
2 3 1
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polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
12 3 -
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polyatomic_complexes\src\complexes\building_blocks.py
4 3 -
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polyatomic_complexes\src\complexes\general_utils.py
29 3 1
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polyatomic_complexes\experiments\lipophilicity_experiment.py
17 3 1
B
polyatomic_complexes\src\complexes\polyatomic_complex.py
19 3 3
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.github\workflows\build_mat.yml
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polyatomic_complexes\__init__.py
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