main
buildamol
Repository badge with AMinus rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
tests\test_toplevel.py
3 5 -
A
tests\test_structural.py
169 7 3
A
tests\test_pdbe_compounds.py
27 6 -
A
tests\test_optimizers.py
55 5 -
A
tests\test_molecule.py
253 15 2
A
tests\test_graphs.py
101 4 2
A
tests\test_convert.py
15 4 2
A
tests\test_charmm.py
2 4 -
A
tests\base.py
 6 -
A
tests\__init__.py
 1 -
A
support\tools\add_example_gallery.py
6 1 -
A
support\pdbe_compounds\size_filter.py
6 4 -
A
support\pdbe_compounds\pubchem_to_cif.py
2 2 -
A
support\pdbe_compounds\make_database.py
5 2 -
A
support\paper_data\vs_stk\example_rotaxane\using_stk.py
 1 -
A
support\paper_data\vs_stk\example_rotaxane\using_buildamol.py
 1 -
A
support\paper_data\vs_stk\example_polymer\using_stk.py
 1 -
A
support\paper_data\vs_stk\example_polymer\using_buildamol.py
 2 -
A
support\paper_data\vs_stk\example_metalcomplex\octahedral_lambda\using_stk.py
 1 -
A
support\paper_data\vs_stk\example_metalcomplex\octahedral_lambda\using_buildamol.py
 1 -