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FIRECODE
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Grade
Name
Complexity
Churn
Issues
A
firecode\tests\test_suite.py
6 12 -
A
firecode\calculators\ase_uma.py
6 2 -
A
firecode\md\equilibration.py
6 2 -
A
firecode\__main__.py
8 18 -
A
firecode\calculators\solvation_delta_calc.py
10 1 1
A
firecode\context_managers.py
12 1 -
A
firecode\pka.py
15 9 -
A
firecode\graph_manipulations.py
15 7 -
A
firecode\optimization_methods.py
24 17 -
A
firecode\hypermolecule_class.py
25 12 -
A
firecode\embedder_options.py
27 20 -
A
firecode\dispatcher.py
32 2 1
A
firecode\ensemble.py
35 2 1
A
firecode\calculators\xtb.py
43 2 1
A
firecode\interfaces\goat.py
44 2 2
A
firecode\rdkit_tools.py
45 4 1
B
firecode\thermochemistry.py
48 5 5
A
firecode\atropisomer_module.py
53 9 2
A
firecode\operators.py
62 19 1
A
firecode\interfaces\crest.py
69 2 3