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torchani
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Name
Complexity
Churn
Issues
A
tools\training-benchmark-nsys-profile.py
3 5 2
B
tools\training-aev-benchmark.py
25 3 3
A
tools\md-benchmark-nsys-profile.py
1 2 1
A
tools\inference-benchmark.py
8 3 -
A
tools\generate-xyz-files.py
2 1 -
A
tools\generate-unit-test-expect\tripeptide-md.py
2 1 -
A
tools\generate-unit-test-expect\structure-optim.py
 2 -
A
tools\generate-unit-test-expect\nist.py
 1 -
A
tools\generate-unit-test-expect\nist-dataset\nist.py
14 1 -
A
tools\generate-unit-test-expect\neurochem_calculator.py
16 2 -
A
tools\generate-unit-test-expect\benzene-md.py
2 2 -
A
tools\generate-unit-test-expect\ANI1.py
 2 -
A
tools\comp6.py
13 4 -
A
tools\aev-benchmark-size.py
34 4 1
A
tests\test_vibrational.py
3 6 -
A
tests\test_utils.py
2 5 -
A
tests\test_structure_optim.py
4 4 -
A
tests\test_periodic_table_indexing.py
6 5 -
A
tests\test_padding.py
5 4 2
A
tests\test_neurochem.py
2 5 1