Commits · 55e6d4f0c04663077590e2fdbfcb6f2946c96509 · OpenDAS / torchani

13 Nov, 2020 2 commits
- Revert "Use PyTorch autograd's hessian (#532)" (#534) · 55e6d4f0
  Gao, Xiang authored Nov 12, 2020
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This reverts commit bd9d888a.
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  55e6d4f0
- Use PyTorch autograd's hessian (#532) · bd9d888a
  Gao, Xiang authored Nov 12, 2020
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* Use PyTorch autograd's hessian

* fix test

* save

* clean

* save

* save

* drop hessian from jit example
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  bd9d888a
23 Nov, 2019 1 commit
- Add example to customize JIT models (#401) · 124f239e
  Gao, Xiang authored Nov 23, 2019
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* add example to customize JIT models

* cleanup

* fix list

* Update jit.py
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  124f239e
21 Nov, 2019 1 commit
- Support periodic table indexing in builtin models (#399) · 493731b5
  Gao, Xiang authored Nov 20, 2019
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* Support  periodic table Indexing in builtin models

* flake8

* more

* fix

* fix cuda
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  493731b5
08 Nov, 2019 1 commit
- Use namedtuple to improve API while still maintaining backward compatibility (#380) · 004f5a52
  Gao, Xiang authored Nov 08, 2019
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* Use namedtuple to improve API

* improve
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  004f5a52
10 Oct, 2019 1 commit
- Add example for using TorchScript (#328) · 4bacf402
  Gao, Xiang authored Oct 10, 2019
  
  4bacf402