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torchani
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Issues
A
.github\workflows\deploy-docs.yml
 3 -
A
torchani\cuaev\cuaev.cpp
16 2 1
A
download.sh
 2 -
A
torchani\data\__init__.py
47 12 -
A
.github\wip.yml
 1 -
A
torchani\models.py
29 16 1
A
tests\test_data\inputtrain.yaml
 4 -
A
torchani\neurochem\parse_resources.py
9 2 -
A
examples\ase_interface.py
1 6 -
A
torchani\nn.py
20 10 -
A
tests\test_ensemble.py
8 4 -
A
torchani\resources\no-assume-unchanged
 1 -
A
.github\workflows\docs.yml
 6 -
A
tests\test_aev_tripeptide_md.py
3 3 -
A
torchani\__init__.py
 8 -
B
tools\training-aev-benchmark.py
25 3 3
C
examples\nnp_training_force.py
5 11 5
D
torchani\cuaev\aev.cu
 18 7
D
tests\test_cuaev.py
40 13 6
D
examples\nnp_training.py
5 13 5