master
PolyatomicComplexes
Repository badge with AMinus rating
View on GitHub
Grade
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\freesolv_experiment.py
26 3 1
A
polyatomic_complexes\experiments\mp_matbench_experiment.py
19 4 -
A
polyatomic_complexes\src\__init__.py
 2 -
A
polyatomic_complexes\src\complexes\__init__.py
 3 -
A
.github\workflows\build.yml
 6 -
A
.github\workflows\ci.yml
 19 -
A
polyatomic_complexes\experiments\jdft2d_matbench_experiment.py
20 3 -
A
polyatomic_complexes\experiments\metrics.py
3 1 -
A
polyatomic_complexes\experiments\esol_experiment.py
26 3 1
A
polyatomic_complexes\experiments\photoswitches_experiment.py
26 3 1
A
.github\workflows\build_mat.yml
 4 -
A
polyatomic_complexes\experiments\kernels.py
12 1 -
A
polyatomic_complexes\__init__.py
 4 -
A
polyatomic_complexes\experiments\lipophilicity_experiment.py
26 3 1
A
polyatomic_complexes\experiments\gaussian_process.py
18 4 1
A
.github\dependabot.yml
 1 -