master
torchani
Repository badge with AMinus rating
View on GitHub
Grade
Name
Complexity
Churn
Issues
A
tests\test_vibrational.py
3 6 -
A
tests\test_periodic_table_indexing.py
6 5 -
A
examples\neurochem_trainer.py
1 3 -
A
.github\workflows\clang-format.yml
 2 -
A
tools\comp6.py
13 4 -
A
tools\generate-unit-test-expect\ANI1.py
 2 -
A
.github\workflows\tools.yml
 4 -
A
examples\vibration_analysis.py
 4 -
A
tools\generate-unit-test-expect\benzene-md.py
2 2 -
A
tools\generate-unit-test-expect\neurochem_calculator.py
16 2 -
A
tools\generate-unit-test-expect\nist-dataset\nist.py
14 1 -
A
tools\generate-unit-test-expect\nist.py
 1 -
A
.github\workflows\deploy-test-pypi.yml
 5 -
A
.github\workflows\unittest.yml
 7 -
A
tests\common_aev_test.py
3 5 -
A
tools\generate-unit-test-expect\structure-optim.py
 2 -
A
tools\generate-unit-test-expect\tripeptide-md.py
2 1 -
A
tests\test_aev.py
48 10 -
A
tools\generate-xyz-files.py
2 1 -
A
ci\install_cuda.sh
 3 -