Commits · a59823d5ce7945d43da06d445620d53456f600d5 · 钟慕尧 / deepchem

Browse files

Nov 03, 2017
- Merge pull request #879 from marta-sd/RGF_tests · a59823d5
  Bharath Ramsundar authored Nov 02, 2017
  a59823d5
- Merge pull request #916 from lilleswing/singleton_csv · 457b25e0
  Bharath Ramsundar authored Nov 02, 2017
  457b25e0
Nov 02, 2017
- yapf · 49c70053
  marta-sd authored Nov 02, 2017
  
  49c70053
- tests · 06166a9c
  leswing authored Nov 02, 2017
  
  06166a9c
- Merge branch 'master' into singleton_csv · 36cc966d
  leswing authored Nov 02, 2017
  
  36cc966d
- more cleanup: · ec86aaed
  marta-sd authored Nov 02, 2017
  ec86aaed
- FIX: incorrect index · 1b5e9b48
  marta-sd authored Nov 02, 2017
  
  1b5e9b48
- removed reflections (they were not implemented) · 6a086f13
  marta-sd authored Oct 31, 2017
  
  6a086f13
- added sanitize flag · 00d80849
  marta-sd authored Oct 31, 2017
  
  00d80849
- docstrings + small stylistic changes · 22798d00
  marta-sd authored Oct 30, 2017
  
  22798d00
- 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
- Singleton csv works · d86b4144
  leswing authored Nov 01, 2017
  
  d86b4144
- 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

Admin message

Commits · a59823d5ce7945d43da06d445620d53456f600d5