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torchani
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Grade
Name
Complexity
Churn
Issues
A
torchani\neurochem\__init__.py
63 4 1
F
torchani\utils.py
52 11 33
A
torchani\data\__init__.py
47 7 -
A
tests\test_aev.py
46 8 -
A
torchani\data\_pyanitools.py
39 1 -
A
tools\aev-benchmark-size.py
34 4 1
A
torchani\models.py
29 14 1
C
tests\test_cuaev.py
28 13 6
A
torchani\aev.py
27 18 -
A
tools\training-aev-benchmark.py
25 3 3
A
tests\test_data.py
21 6 -
A
torchani\nn.py
20 8 -
A
setup.py
19 16 1
A
tools\generate-unit-test-expect\neurochem_calculator.py
16 1 -
A
torchani\cuaev\cuaev.cpp
16 2 1
A
tools\generate-unit-test-expect\nist-dataset\nist.py
14 1 -
A
tests\test_energies.py
13 8 -
A
torchani\ase.py
13 4 -
A
tools\comp6.py
13 1 -
A
tests\test_ase.py
9 7 -