Commits · be07198bb4b48e71cb65e6290e241bee00ae2d53 · 钟慕尧 / deepchem

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Oct 03, 2017
- Fix numerical problems with gradient by adding a very small delta · be07198b
  Yutong Zhao authored Oct 02, 2017
  
  be07198b
Sep 30, 2017
- Fix more tests · ef5bea10
  Yutong Zhao authored Sep 29, 2017
  
  ef5bea10
- Fix test_overfit · 0f3a46f8
  Yutong Zhao authored Sep 29, 2017
  
  0f3a46f8
Sep 29, 2017
- Quick fix · cad7ec0a
  Yutong Zhao authored Sep 29, 2017
  
  cad7ec0a
- yapf · ba2e0a4c
  Yutong Zhao authored Sep 29, 2017
  
  ba2e0a4c
- Merge branch 'master' into ani_trans_int · f5d04605
  Yutong Zhao authored Sep 29, 2017
  
  f5d04605
- Use self interaction energies directly from paper · cabf2708
  Yutong Zhao authored Sep 29, 2017
  
  cabf2708
- Merge pull request #859 from Dgelemi/untargz_function · 7b6248db
  Bharath Ramsundar authored Sep 28, 2017
  7b6248db
- Merge pull request #851 from lilleswing/graphconvsuch-cr · 2031c49d
  Bharath Ramsundar authored Sep 28, 2017
  2031c49d
- Save via numpy · d52c0b9d
  Yutong Zhao authored Sep 28, 2017
  
  d52c0b9d
- Merge pull request #857 from lilleswing/libicui18n · bf419fb2
  Bharath Ramsundar authored Sep 28, 2017
  bf419fb2
Sep 28, 2017
- lilleswing comment · 8fce9969
  Jérémy authored Sep 28, 2017
  
  8fce9969
- file encoding · 0cda26f5
  leswing authored Sep 28, 2017
  
  0cda26f5
- Remove extra print · a5033e34
  Yutong Zhao authored Sep 28, 2017
  
  a5033e34
- Merge branch 'master' into graphconvsuch-cr · 90320cba
  leswing authored Sep 28, 2017
  
  90320cba
- Documentation update · 47e44c7d
  leswing authored Sep 28, 2017
  
  47e44c7d
- 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
- yapf · d6431ffc
  Jérémy authored Sep 27, 2017
  
  d6431ffc
- yapf · 425d6438
  Jérémy authored Sep 27, 2017
  
  425d6438
- replace os call to tar by deepchem.utils.untargz_file in qm9_datasets.py · 6901f771
  Jérémy authored Sep 27, 2017
  
  6901f771
- Install from conda forge · 716419b2
  leswing authored Sep 27, 2017
  
  716419b2
- Add a function to uncompress .tar.gz file in python · 93d0d653
  Jérémy authored Sep 27, 2017
  
  93d0d653
- GOGO · 7f20a349
  leswing authored Sep 27, 2017
  
  7f20a349
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
- Return adjs from Graphcnnpool · f87fa51a
  leswing authored Sep 26, 2017
  
  f87fa51a

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Commits · be07198bb4b48e71cb65e6290e241bee00ae2d53