Commits · 1ae9bc955995bb4a253be5474da0eaaedc4a8aa5 · 钟慕尧 / deepchem

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Nov 02, 2017
- do not use aromatic interactions is pose scoring and examples · 1ae9bc95
  marta-sd authored Oct 25, 2017
  1ae9bc95
- use kwargs to specify custom bins and cutoffs · 8ffc36fe
  marta-sd authored Oct 23, 2017
  
  8ffc36fe
- stylistic changes · 9ee36e9c
  marta-sd authored Oct 25, 2017
  
  9ee36e9c
- updated functions that use RdkitGridFeaturizer · 2347bb57
  marta-sd authored Oct 13, 2017
  
  2347bb57
- new implementation of pi interactions · 7b1f6500
  marta-sd authored Oct 13, 2017
  
  7b1f6500
- new implementation of _transform · 637f10b1
  marta-sd authored Oct 12, 2017
  
  637f10b1
- more cleanup: · 11df1a7d
  marta-sd authored Oct 12, 2017
  11df1a7d
- basic cleanup: · b3c9f2c6
  marta-sd authored Oct 10, 2017
  b3c9f2c6
- Merge pull request #914 from proteneer/fix_iter_batches · 4deb33c9
  Bharath Ramsundar authored Nov 01, 2017
  4deb33c9
Nov 01, 2017
- Merge pull request #917 from lilleswing/config_proto · 0404791b
  Bharath Ramsundar authored Nov 01, 2017
  0404791b
- Fix pad_batches on None y or w · 36404369
  Yutong Zhao authored Nov 01, 2017
  
  36404369
- Preserve behavior of batch_size=None to iterate in shard_size · 9ce96c35
  Yutong Zhao authored Nov 01, 2017
  
  9ce96c35
- Merge branch 'master' into config_proto · 9f53fc5d
  leswing authored Nov 01, 2017
  
  9f53fc5d
- configproto · a1a59a61
  leswing authored Nov 01, 2017
  
  a1a59a61
- yapf · c6bb2f0a
  Yutong Zhao authored Nov 01, 2017
  
  c6bb2f0a
- Add additional tests for pad_batches · 40265f8e
  Yutong Zhao authored Nov 01, 2017
  
  40265f8e
- Merge pull request #910 from miaecle/jenkins · 1a764260
  Bharath Ramsundar authored Oct 31, 2017
  1a764260
- Fix iterbatches not iterating in batch_size across shards. · 7fdfceee
  Yutong Zhao authored Oct 31, 2017
  
  7fdfceee
Oct 31, 2017
- yapf · 18ea3f26
  miaecle authored Oct 30, 2017
  
  18ea3f26
- fix errors · b5fa4fbf
  miaecle authored Oct 30, 2017
  
  b5fa4fbf
- renaming · 8ee42420
  miaecle authored Oct 30, 2017
  
  8ee42420
- remove redundant csv · e6a29c45
  miaecle authored Oct 30, 2017
  
  e6a29c45
- recover changes · 8725ffb2
  miaecle authored Oct 30, 2017
  
  8725ffb2
- recover changes · 0973aad4
  miaecle authored Oct 30, 2017
  
  0973aad4
- debug · e1b925e4
  miaecle authored Oct 30, 2017
  
  e1b925e4
Oct 29, 2017
- Merge pull request #909 from deepchem/rbharath-patch-1 · f37eb55b
  Bharath Ramsundar authored Oct 28, 2017
  f37eb55b
- update · f2d3d445
  miaecle authored Oct 28, 2017
  
  f2d3d445
- Merge remote-tracking branch 'remotes/origin/master' · 4aaf6ca7
  miaecle authored Oct 28, 2017
  
  4aaf6ca7
- Clean up README · dfad4a50
  Bharath Ramsundar authored Oct 28, 2017
  
  dfad4a50
- Merge pull request #907 from lilleswing/docs-update · 526a8277
  Bharath Ramsundar authored Oct 28, 2017
  526a8277
Oct 28, 2017
- remove slow tests from smoke testing · 2af0ba37
  leswing authored Oct 27, 2017
  
  2af0ba37
Oct 27, 2017
- Merge remote-tracking branch 'remotes/origin/master' · 2c0a5566
  miaecle authored Oct 26, 2017
  
  2c0a5566
- Merge pull request #904 from lilleswing/docker-13-fix · 0d573ffc
  Bharath Ramsundar authored Oct 26, 2017
  0d573ffc
Oct 26, 2017
- spacing · 4887a563
  leswing authored Oct 26, 2017
  
  4887a563
- Correct Version of DeepChem · 45ed59cd
  leswing authored Oct 26, 2017
  
  45ed59cd
- Install libsm6 · 21b90e8f
  leswing authored Oct 26, 2017
  
  21b90e8f
- Merge pull request #901 from miaecle/IRV · b618be99
  Bharath Ramsundar authored Oct 25, 2017
  b618be99
- quick fix · 4ea07bdb
  ZHENQIN WU authored Oct 25, 2017
  
  4ea07bdb
Oct 25, 2017
- update · 6835a33a
  miaecle authored Oct 24, 2017
  
  6835a33a
- Merge pull request #895 from peastman/convinit · 75c4bcab
  Bharath Ramsundar authored Oct 24, 2017
  75c4bcab

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Commits · 1ae9bc955995bb4a253be5474da0eaaedc4a8aa5