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torchani
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Grade
Name
Complexity
Churn
Issues
A
torchani\aev.py
27 18 -
D
torchani\cuaev\aev.cu
 18 7
A
torchani\models.py
29 16 1
A
setup.py
19 16 1
D
tests\test_cuaev.py
40 13 6
D
examples\nnp_training.py
5 13 5
F
torchani\utils.py
52 12 33
A
torchani\data\__init__.py
47 12 -
C
examples\nnp_training_force.py
5 11 5
A
tests\test_aev.py
48 10 -
A
torchani\nn.py
20 10 -
A
torchani\__init__.py
 8 -
A
tests\test_energies.py
15 8 -
A
tools\training-benchmark.py
3 8 3
A
tests\test_data.py
21 8 -
A
tests\test_ase.py
9 7 -
A
torchani\neurochem\__init__.py
67 7 1
A
.github\workflows\unittest.yml
 7 -
A
examples\ase_interface.py
1 6 -
A
tests\test_vibrational.py
3 6 -