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FIRECODE
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Grade
Name
Complexity
Churn
Issues
A
firecode\typing_.py
 1 -
A
.github\workflows\draft-pdf.yml
 1 -
A
firecode\calculators\solvation_delta_calc.py
10 1 1
A
firecode\context_managers.py
12 1 -
A
.readthedocs.yaml
 1 -
A
firecode\md\packmol.py
5 1 1
A
firecode\calculators\ase_uma.py
6 2 -
A
firecode\md\equilibration.py
6 2 -
A
firecode\ensemble.py
35 2 1
A
firecode\interfaces\goat.py
44 2 2
A
firecode\interfaces\crest.py
69 2 3
A
docs\requirements.txt
 2 -
A
firecode\calculators\xtb.py
43 2 1
A
firecode\dispatcher.py
32 2 1
A
firecode\quotes.py
0 3 -
A
firecode\tests\conftest.py
0 3 -
A
firecode\errors.py
 4 -
A
firecode\rdkit_tools.py
45 4 1
A
firecode\parameters.py
 4 -
A
.pre-commit-config.yaml
 4 -