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torchani
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A
.github\wip.yml
 1 -
A
tests\test_ensemble.py
8 4 -
A
ci\install_dependencies.sh
 3 -
A
torchani\__init__.py
 8 -
A
torchani\cuaev\aev.h
4 1 1
A
torchani\cuaev\cuaev.cpp
16 2 1
A
torchani\models.py
29 16 1
A
torchani\neurochem\__init__.py
67 7 1
A
tests\test_neurochem.py
2 5 1
A
tools\aev-benchmark-size.py
34 4 1
A
setup.py
19 16 1
A
tools\md-benchmark-nsys-profile.py
1 2 1
A
tests\test_padding.py
5 4 2
A
tools\training-benchmark-nsys-profile.py
3 5 2
B
tools\training-aev-benchmark.py
25 3 3
A
tools\training-benchmark.py
3 8 3
D
examples\nnp_training.py
5 13 5
C
examples\nnp_training_force.py
5 11 5
D
tests\test_cuaev.py
40 13 6
D
torchani\cuaev\aev.cu
 18 7