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torchani
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A
tools\training-benchmark-nsys-profile.py
3 1 2
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tools\md-benchmark-nsys-profile.py
1 1 1
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tools\generate-unit-test-expect\structure-optim.py
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download.sh
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.github\workflows\clang-format.yml
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tools\training-benchmark.py
3 2 3
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examples\load_from_neurochem.py
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torchani\neurochem\parse_resources.py
8 2 -
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torchani\testing.py
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torchani\cuaev\cuaev_cub.cuh
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torchani\cuaev\cuaev.cpp
16 2 1
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.github\workflows\deploy-docs.yml
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tests\test_al.py
7 3 -
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.github\workflows\runnable_submodules.yml
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.github\workflows\flake8.yml
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tests\test_padding.py
5 3 2
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examples\energy_force.py
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tools\training-aev-benchmark.py
25 3 3
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.github\workflows\stable-torch.yml
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examples\nnp_training_force.py
4 3 5