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PolyatomicComplexes
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Grade
Name
Complexity
Churn
Issues
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
82 3 1
F
polyatomic_complexes\experiments\load_process_data.py
55 3 19
B
polyatomic_complexes\tests\test_geom.py
52 1 5
A
polyatomic_complexes\src\complexes\abstract_complex.py
51 2 3
A
polyatomic_complexes\src\complexes\quantum_complex.py
43 2 1
B
polyatomic_complexes\tests\test_geom_unique.py
41 3 8
A
polyatomic_complexes\src\complexes\space_utils.py
39 1 2
A
polyatomic_complexes\src\complexes\atomic_complex.py
35 3 -
A
polyatomic_complexes\src\complexes\core_utils.py
30 1 -
A
polyatomic_complexes\src\complexes\general_utils.py
29 3 1
A
polyatomic_complexes\tests\test_kchains.py
19 2 1
B
polyatomic_complexes\src\complexes\polyatomic_complex.py
19 3 3
A
polyatomic_complexes\experiments\photoswitches_experiment.py
17 3 1
A
polyatomic_complexes\experiments\freesolv_experiment.py
17 3 1
A
polyatomic_complexes\experiments\esol_experiment.py
17 3 1
A
polyatomic_complexes\experiments\lipophilicity_experiment.py
17 3 1
A
polyatomic_complexes\src\complexes\force_complex.py
12 1 -
A
polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
12 3 -
A
polyatomic_complexes\experiments\mp_matbench_experiment.py
11 4 -
A
polyatomic_complexes\src\complexes\polyatomic_geometry.py
11 1 1