Commits · 2ad4126fcba61ed039a21c19e73713d33716243f · OpenDAS / torchani

17 May, 2019 1 commit

Add AdamW optimizer, Add docs of nnp training to train a real ANI-1x model,... · 2ad4126f

Gao, Xiang authored May 16, 2019

Add AdamW optimizer, Add docs of nnp training to train a real ANI-1x model, remove h5py and ignite from dependencies, rename MAEMetric -> MaxAEMetric, use torch.utils.tensorboard to replace tensorboardX (#224)

2ad4126f

23 Mar, 2019 1 commit
- Tools for COMP6 benchmark (#196) · f149f6e1
  Gao, Xiang authored Mar 23, 2019
  
  f149f6e1
16 Dec, 2018 1 commit
- Only trigger builds on master (#156) · faebfffa
  Gao, Xiang authored Dec 16, 2018
  
  faebfffa
12 Dec, 2018 1 commit
- Add 3D structures downloaded from NIST to unit test set (#146) · 2cc64cb7
  Gao, Xiang authored Dec 12, 2018
  
  2cc64cb7
30 Oct, 2018 2 commits
- Set timeout for CI builds, increase print freq for ase example (#138) · d8168e7e
  Gao, Xiang authored Oct 30, 2018
```
Set timeout for CI builds, increase print freq for ase example
```
  d8168e7e
- Setup azure pipeline (#134) · 9719edb1
  Gao, Xiang authored Oct 30, 2018
  
  9719edb1