Commits · cada73f032e9e95a459cd3907146ec8cf27e7746 · 钟慕尧 / deepchem

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Mar 10, 2017
- Merge pull request #459 from peastman/pcba · cada73f0
  Bharath Ramsundar authored Mar 09, 2017
  cada73f0
- Fixed broken PCBA example · 64072689
  Peter Eastman authored Mar 09, 2017
  
  64072689
- Merge pull request #452 from XericZephyr/readme_pdbfixer · 415aebad
  Bharath Ramsundar authored Mar 09, 2017
  415aebad
- Change pdbfixer to conda install. · 95ec603c
  Zheng Xu authored Mar 09, 2017
  
  95ec603c
Mar 09, 2017
- Update instruction index. · 3c4028cf
  Zheng Xu authored Mar 08, 2017
  
  3c4028cf
- Add openmm and pdbfixer installation instruction. · 64a5b367
  Zheng Xu authored Mar 08, 2017
  
  64a5b367
- Merge pull request #448 from ktaneishi/bt_gcv · c860937b
  Bharath Ramsundar authored Mar 08, 2017
  c860937b
- Merge branch 'master' of https://github.com/deepchem/deepchem into bt_gcv · 30e02285
  ktaneishi authored Mar 09, 2017
  
  30e02285
- remove with g.as_default() lines since these are not required no longer. · 038d5cb0
  ktaneishi authored Mar 09, 2017
  038d5cb0
- Merge pull request #449 from peastman/onehot · 9eca0d40
  Bharath Ramsundar authored Mar 08, 2017
  9eca0d40
- Ran yapf to adjust formatting · 937ed59e
  Peter Eastman authored Mar 08, 2017
  
  937ed59e
- Merge pull request #447 from miaecle/molnet · 875e0590
  Bharath Ramsundar authored Mar 08, 2017
  875e0590
- Optimized one hot encoding · 03bca48f
  Peter Eastman authored Mar 08, 2017
  
  03bca48f
- style fixing · 1556fe10
  miaecle authored Mar 08, 2017
  
  1556fe10
Mar 08, 2017
- fix new GraphConv methods' arguments bug. · e704aa98
  ktaneishi authored Mar 08, 2017
  
  e704aa98
- debugging · 15b15d1c
  miaecle authored Mar 08, 2017
  
  15b15d1c
- style change · 7efa6437
  miaecle authored Mar 08, 2017
  
  7efa6437
- little fix · 3edcd2fc
  miaecle authored Mar 08, 2017
  
  3edcd2fc
- molnet first draft · 9a69c6fd
  miaecle authored Mar 08, 2017
  
  9a69c6fd
- Merge remote-tracking branch 'remotes/origin/master' into momlnet · 9bed010b
  miaecle authored Mar 08, 2017
  
  9bed010b
- adding raw featurizer · a85d57f1
  miaecle authored Mar 08, 2017
  
  a85d57f1
- Merge pull request #440 from lilleswing/RdkitGridFeaturizer-cr2 · d77ccf9b
  Bharath Ramsundar authored Mar 07, 2017
  d77ccf9b
- Merge pull request #443 from joegomes/hopv2 · 7fe2b751
  Bharath Ramsundar authored Mar 07, 2017
  7fe2b751
- reconstruct molnet structure · 297eff9d
  miaecle authored Mar 07, 2017
  
  297eff9d
- Added HOPV dataset and models · 8e2caa31
  joegomes authored Mar 07, 2017
  
  8e2caa31
- Merge pull request #438 from lilleswing/full-benchmark-cr · 879ddaa9
  Bharath Ramsundar authored Mar 07, 2017
  879ddaa9
- Merge pull request #442 from joegomes/qm8 · 03c26773
  Bharath Ramsundar authored Mar 07, 2017
  03c26773
- Run yapf on qm8 example · 6798f1ba
  joegomes authored Mar 07, 2017
  
  6798f1ba
- Added Coulomb Matrix QM8 TF-MT regressor example · 22f0df68
  joegomes authored Mar 07, 2017
  
  22f0df68
- Correct return value from jenkins script for failure · 255d43a7
  leswing authored Mar 07, 2017
  
  255d43a7
- Merge branch 'master' into RdkitGridFeaturizer-cr2 · 6b33108d
  leswing authored Mar 07, 2017
  
  6b33108d
Mar 07, 2017
- Merge pull request #369 from rbharath/keras_simple · b38bcdcc
  Bharath Ramsundar authored Mar 06, 2017
  b38bcdcc
- yapf again · eef7bc2d
  Bharath Ramsundar authored Mar 06, 2017
  
  eef7bc2d
- YAPF · cff6617e
  Bharath Ramsundar authored Mar 06, 2017
  
  cff6617e
- Changes · 9d7d558b
  Bharath Ramsundar authored Mar 06, 2017
  
  9d7d558b
- Do Core · 860f9eff
  leswing authored Mar 06, 2017
  
  860f9eff
- Formatting · 699c473b
  leswing authored Mar 06, 2017
  
  699c473b
- CR Updates · 90c8ef70
  leswing authored Mar 06, 2017
  
  90c8ef70
- PR cleanup · 0405e2cc
  leswing authored Mar 06, 2017
  
  0405e2cc
- Now do it in memory · 42038c29
  leswing authored Mar 06, 2017
  
  42038c29

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Commits · cada73f032e9e95a459cd3907146ec8cf27e7746