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torchani
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A
torchani\nn.py
20 8 -
A
tests\test_grad.py
6 4 -
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.github\workflows\docs.yml
 4 -
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torchani\__init__.py
 7 -
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torchani\cuaev\aev.cu
 18 1
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torchani\cuaev\aev.h
4 1 1
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torchani\cuaev\cuaev.cpp
16 2 1
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torchani\models.py
29 14 1
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torchani\neurochem\__init__.py
63 4 1
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tests\test_neurochem.py
2 5 1
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tests\test_padding.py
5 3 1
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tools\aev-benchmark-size.py
34 4 1
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setup.py
19 16 1
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tools\md-benchmark-nsys-profile.py
1 1 1
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tools\training-aev-benchmark.py
25 3 1
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tools\training-benchmark.py
3 2 1
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tests\test_cuaev.py
28 13 2
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examples\nnp_training.py
4 5 2
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examples\nnp_training_force.py
4 3 2
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tools\training-benchmark-nsys-profile.py
3 1 2