Commits · 83248cf1df7a45bde6cbd6af395d928d2d832ed6 · OpenDAS / torchani

31 Aug, 2018 1 commit
- command line tool to precompute aevs (#83) · 83248cf1
  Gao, Xiang authored Aug 31, 2018
  
  83248cf1
30 Aug, 2018 2 commits
- Allow running NeuroChem trainer by `python -m torchani.neurochem.trainer` (#82) · a9a792a2
  Gao, Xiang authored Aug 30, 2018
  
  a9a792a2
- Inference benchmark (#81) · c37e6e1f
  Gao, Xiang authored Aug 30, 2018
  
  c37e6e1f
25 Aug, 2018 1 commit
- Docs improvements (#77) · 9cae6d3f
  Gao, Xiang authored Aug 24, 2018
  
  9cae6d3f
23 Aug, 2018 1 commit
- Improve training related API (#76) · 3cced1e6
  Gao, Xiang authored Aug 23, 2018
  
  3cced1e6
21 Aug, 2018 1 commit
- Refactor codes to put neurochem related codes together (#72) · f146feca
  Gao, Xiang authored Aug 21, 2018
  
  f146feca
07 Aug, 2018 1 commit
- a new example to test neurochem on specified dataset (#56) · e5439f3d
  Gao, Xiang authored Aug 07, 2018
  
  e5439f3d
31 Jul, 2018 3 commits
- fix build (#41) · 97e3df07
  Gao, Xiang authored Jul 31, 2018
  
  97e3df07
- test energy force example (#34) · f6b193bd
  Gao, Xiang authored Jul 30, 2018
  
  f6b193bd
- working ignite and dataloader with simple examples (#21) · b3744935
  Gao, Xiang authored Jul 30, 2018
  
  b3744935
29 Jul, 2018 1 commit
- Add ignite API helpers, also temporarily disable JIT and python2 compatibiltiy (#29) · 18e4867d
  Gao, Xiang authored Jul 29, 2018
  
  18e4867d
22 Jul, 2018 4 commits
- add limited python2 compatibility (#13) · ba3036d1
  Gao, Xiang authored Jul 22, 2018
  
  ba3036d1
- add style check to unit test (#12) · 87c4184a
  Gao, Xiang authored Jul 22, 2018
  
  87c4184a
- fix yaml (#11) · a61a1b3e
  Gao, Xiang authored Jul 22, 2018
  
  a61a1b3e
- switch to yaml (#10) · 79949c73
  Gao, Xiang authored Jul 22, 2018
  
  79949c73