master
PolyatomicComplexes
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Name
Complexity
Churn
Issues
A
polyatomic_complexes\src\complexes\quantum_theor_complex.py
127 3 2
F
polyatomic_complexes\experiments\load_process_data.py
87 3 19
A
polyatomic_complexes\src\complexes\quantum_complex.py
71 2 1
B
polyatomic_complexes\tests\test_geom.py
70 1 5
A
polyatomic_complexes\src\complexes\space_utils.py
69 1 2
A
polyatomic_complexes\src\complexes\core_utils.py
59 1 -
A
polyatomic_complexes\src\complexes\abstract_complex.py
53 1 -
B
polyatomic_complexes\tests\test_geom_unique.py
51 3 8
A
polyatomic_complexes\src\complexes\general_utils.py
44 3 1
A
polyatomic_complexes\src\complexes\atomic_complex.py
43 3 1
A
polyatomic_complexes\src\complexes\force_complex.py
30 1 -
B
polyatomic_complexes\src\complexes\polyatomic_complex.py
27 3 3
A
polyatomic_complexes\experiments\esol_experiment.py
26 3 1
A
polyatomic_complexes\experiments\photoswitches_experiment.py
26 3 1
A
polyatomic_complexes\experiments\freesolv_experiment.py
26 3 1
A
polyatomic_complexes\experiments\lipophilicity_experiment.py
26 3 1
A
polyatomic_complexes\experiments\materials_project_experiment.py
21 5 -
A
polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
20 3 -
A
polyatomic_complexes\experiments\mp_matbench_experiment.py
19 4 -
A
polyatomic_complexes\experiments\gaussian_process.py
18 4 1