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torchani
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Grade
Name
Complexity
Churn
Issues
A
torchani\aev.py
27 18 -
F
torchani\cuaev\aev.cu
 18 7
A
setup.py
19 16 1
A
torchani\models.py
29 14 1
C
tests\test_cuaev.py
28 13 6
F
torchani\utils.py
52 11 33
A
tests\test_energies.py
13 8 -
A
torchani\nn.py
20 8 -
A
tests\test_aev.py
46 8 -
A
torchani\__init__.py
 7 -
A
tests\test_ase.py
9 7 -
A
torchani\data\__init__.py
47 7 -
A
tests\test_data.py
21 6 -
A
tests\test_vibrational.py
3 6 -
A
tests\test_forces.py
7 5 -
B
examples\nnp_training.py
4 5 5
A
.github\workflows\mypy.yml
 5 -
A
tests\test_utils.py
2 5 -
A
tests\common_aev_test.py
3 5 -
A
tests\test_neurochem.py
2 5 1