Commits · cabf270829645907966148f64f0ee4c4741bc2fb · 钟慕尧 / deepchem

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Sep 29, 2017
- Use self interaction energies directly from paper · cabf2708
  Yutong Zhao authored Sep 29, 2017
  
  cabf2708
- Save via numpy · d52c0b9d
  Yutong Zhao authored Sep 28, 2017
  
  d52c0b9d
Sep 28, 2017
- Remove extra print · a5033e34
  Yutong Zhao authored Sep 28, 2017
  
  a5033e34
- Add more data folder options to ANI · 5358af0f
  Yutong Zhao authored Sep 28, 2017
  
  5358af0f
- Make anitools python2 friendly · d418c4d2
  Yutong Zhao authored Sep 28, 2017
  
  d418c4d2
- Merge branch 'master' into ani_trans_int · 561a239f
  Yutong Zhao authored Sep 28, 2017
  
  561a239f
Sep 27, 2017
- Merge pull request #854 from miaecle/temp · 62be7627
  Bharath Ramsundar authored Sep 27, 2017
  62be7627
- update fix · b0f339c1
  miaecle authored Sep 26, 2017
  
  b0f339c1
- update fix · 6c338166
  miaecle authored Sep 26, 2017
  
  6c338166
- update fix · cfc588a1
  miaecle authored Sep 26, 2017
  
  cfc588a1
- Merge pull request #853 from peastman/queue · c451665c
  Bharath Ramsundar authored Sep 26, 2017
  c451665c
- Merged changes from master branch · 8f133c30
  Peter Eastman authored Sep 26, 2017
  
  8f133c30
- Fixed bug when logging to tensorboard · d092e7ef
  Peter Eastman authored Sep 26, 2017
  
  d092e7ef
- quick fix · b245c596
  miaecle authored Sep 26, 2017
  
  b245c596
- Merge pull request #852 from lilleswing/tf-13 · 8d449974
  Bharath Ramsundar authored Sep 26, 2017
  8d449974
- Different method for synchronizing queue · 1b7866b1
  Peter Eastman authored Sep 26, 2017
  
  1b7866b1
- Merge pull request #850 from peastman/copy · a260b0ad
  Bharath Ramsundar authored Sep 26, 2017
  a260b0ad
- update documentation as well · 62439eb9
  leswing authored Sep 26, 2017
  
  62439eb9
- GOGO · fee1d15d
  leswing authored Sep 26, 2017
  
  fee1d15d
- Added more documentation · fe274ab0
  peastman authored Sep 26, 2017
  
  fe274ab0
Sep 26, 2017
- Implemented StopGradient · 322ef3b9
  peastman authored Sep 25, 2017
  
  322ef3b9
- Copy layers, initialize variables · 1656bad1
  peastman authored Sep 25, 2017
  
  1656bad1
- Add additional types and constraints · 6669b523
  Yutong Zhao authored Sep 25, 2017
  
  6669b523
Sep 24, 2017
- Merge pull request #848 from peastman/prefetch · 5019ad5d
  Bharath Ramsundar authored Sep 23, 2017
  5019ad5d
Sep 23, 2017
- Change to work on Python 2 · da7cbcd5
  Peter Eastman authored Sep 22, 2017
  
  da7cbcd5
- Clean up pool properly · 5cb7f9af
  Peter Eastman authored Sep 22, 2017
  
  5cb7f9af
- Prefetch shards for DiskDataset · 4b9d9aff
  Peter Eastman authored Sep 22, 2017
  
  4b9d9aff
- Merge pull request #847 from peastman/fetches · 586871a1
  Bharath Ramsundar authored Sep 22, 2017
  586871a1
- Minor optimization to TensorGraph · 56fe2be5
  Peter Eastman authored Sep 22, 2017
  
  56fe2be5
Sep 22, 2017
- Merge pull request #828 from peastman/seq2seq · 20edb37c
  Bharath Ramsundar authored Sep 21, 2017
  20edb37c
- Change to central finite difference · 0566d2c9
  Yutong Zhao authored Sep 21, 2017
  
  0566d2c9
- Merge pull request #840 from rbharath/error_bar · fe960807
  Bharath Ramsundar authored Sep 21, 2017
  fe960807
- Add unittest for gradient and ANIRegression · 8623479b
  Yutong Zhao authored Sep 21, 2017
  
  8623479b
- Merge branch 'master' into seq2seq · d327b71e
  peastman authored Sep 21, 2017
  
  d327b71e
- Added test for notebook · e1b9624a
  peastman authored Sep 21, 2017
  
  e1b9624a
Sep 21, 2017
- Implemented KL cost annealing · 07123c7f
  peastman authored Sep 20, 2017
  
  07123c7f
Sep 20, 2017
- Added example for SeqToSeq fingerprint · b8f84490
  Peter Eastman authored Sep 19, 2017
  
  b8f84490
Sep 19, 2017
- Return embeddings as a numpy array · 73dd4b78
  peastman authored Sep 18, 2017
  
  73dd4b78
- Fixed error on Python 2 · 2753d5ff
  peastman authored Sep 18, 2017
  
  2753d5ff
- Changed API to do prediction in bulk · 354ccf61
  peastman authored Sep 18, 2017
  
  354ccf61

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Commits · cabf270829645907966148f64f0ee4c4741bc2fb