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PolyatomicComplexes
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Name
Complexity
Churn
Issues
F
polyatomic_complexes\experiments\load_process_data.py
87 3 19
B
polyatomic_complexes\tests\test_geom.py
70 1 5
B
polyatomic_complexes\tests\test_geom_unique.py
51 3 8
B
polyatomic_complexes\src\complexes\polyatomic_complex.py
27 3 3
A
polyatomic_complexes\experiments\__init__.py
 1 -
A
polyatomic_complexes\experiments\materials_project_experiment.py
21 5 -
A
polyatomic_complexes\experiments\mp_matbench_experiment.py
19 4 -
A
polyatomic_complexes\experiments\photoswitches_experiment.py
26 3 1
A
.github\workflows\build.yml
 5 -
A
.github\workflows\ci.yml
 20 -
A
polyatomic_complexes\experiments\freesolv_experiment.py
26 3 1
A
polyatomic_complexes\experiments\gaussian_process.py
18 4 1
A
polyatomic_complexes\__init__.py
 4 -
A
polyatomic_complexes\experiments\metrics.py
3 1 -
A
.github\workflows\build_mat.yml
 4 -
A
.github\workflows\documentation.yml
 1 -
A
polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
20 3 -
A
polyatomic_complexes\experiments\kernels.py
12 1 -
A
polyatomic_complexes\experiments\esol_experiment.py
26 3 1
A
.github\dependabot.yml
 1 -