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torchani
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Grade
Name
Complexity
Churn
Issues
A
examples\load_from_neurochem.py
 2 -
A
examples\neurochem_trainer.py
1 3 -
D
examples\nnp_training.py
5 13 5
C
examples\nnp_training_force.py
5 11 5
A
examples\vibration_analysis.py
 4 -
A
setup.py
19 16 1
A
tests\common_aev_test.py
3 5 -
A
tests\test_aev.py
48 10 -
A
tests\test_aev_benzene_md.py
3 3 -
A
tests\test_aev_nist.py
3 3 -
A
tests\test_aev_tripeptide_md.py
3 3 -
A
tests\test_al.py
7 3 -
A
tests\test_ase.py
9 7 -
D
tests\test_cuaev.py
40 13 6
A
tests\test_data.py
21 8 -
A
tests\test_data\inputtrain.yaml
 4 -
A
tests\test_energies.py
15 8 -
A
tests\test_ensemble.py
8 4 -
A
tests\test_forces.py
9 6 -
A
tests\test_grad.py
6 4 -