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OpenDAS
torchani
Commits
e2e740d0dbdf4a372a99491d89c630dd94a2b743
Switch branch/tag
torchani
tests
test_ensemble.py
31 Jul, 2018
4 commits
completely decouple aev computer and neural networks (#40)
· e2e740d0
Gao, Xiang
authored
Jul 31, 2018
e2e740d0
remove force from ANIModel (#39)
· ee31b752
Gao, Xiang
authored
Jul 31, 2018
ee31b752
make aev computer accept species as tensor (#38)
· 2cb357bd
Gao, Xiang
authored
Jul 31, 2018
2cb357bd
working ignite and dataloader with simple examples (#21)
· b3744935
Gao, Xiang
authored
Jul 30, 2018
b3744935
24 Jul, 2018
1 commit
Delete nn.py and create torchani.models to support rich types of models (#26)
· 194e88ff
Gao, Xiang
authored
Jul 24, 2018
194e88ff
23 Jul, 2018
1 commit
add unit test for model ensemble (#14)
· f6ef4ebb
Gao, Xiang
authored
Jul 23, 2018
f6ef4ebb
