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torchani
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Complexity
Churn
Issues
A
tests\test_vibrational.py
3 6 -
A
tools\training-benchmark.py
3 8 3
A
tests\test_aev_nist.py
3 3 -
A
tests\common_aev_test.py
3 5 -
A
tools\training-benchmark-nsys-profile.py
3 5 2
A
tests\test_aev_benzene_md.py
3 3 -
A
tests\test_structure_optim.py
4 4 -
A
torchani\cuaev\aev.h
4 1 1
A
tests\test_padding.py
5 4 2
D
examples\nnp_training.py
5 13 5
C
examples\nnp_training_force.py
5 11 5
A
tests\test_grad.py
6 4 -
A
tests\test_jit_builtin_models.py
6 6 -
A
tests\test_periodic_table_indexing.py
6 5 -
A
tests\test_al.py
7 3 -
A
examples\jit.py
7 3 -
A
tests\test_ensemble.py
8 4 -
A
torchani\units.py
8 1 -
A
tools\inference-benchmark.py
8 3 -
A
tests\test_ase.py
9 7 -