Commits · 896cc659d8c1a4cdae3cfe0d3675a05b6cb46651 · 钟慕尧 / deepchem · GitLab

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Nov 16, 2018
- Handle backwards compatibility where .sdf.csv exists storing tasks · 896cc659
  Christabella Irwanto authored Nov 16, 2018
  
  896cc659
Nov 11, 2018
- If no CSV supplied, read task directly from .sdf with mol.getProp() · 130e98dd
  Christabella Irwanto authored Nov 10, 2018
  
  130e98dd
Nov 10, 2018
- Pass tasks into load_sdf_files so we can extract tasks from .sdf · ff31d0a7
  Christabella Irwanto authored Nov 10, 2018
  
  ff31d0a7
Nov 06, 2018
- Merge pull request #1445 from peastman/dr · cce55b72
  Bharath Ramsundar authored Nov 05, 2018
  cce55b72
- Diabetic retinopathy example supports saliency mapping · 5603e51f
  peastman authored Nov 05, 2018
  
  5603e51f
Oct 31, 2018
- Merge pull request #1439 from peastman/imagedataset · 92f679e5
  Bharath Ramsundar authored Oct 30, 2018
  92f679e5
Oct 27, 2018
- Fixes to support ImageDataset · ffeb4b7c
  peastman authored Oct 26, 2018
  
  ffeb4b7c
Oct 26, 2018
- ImageLoader.featurize() returns an ImageDataset · 9fb18d53
  peastman authored Oct 25, 2018
  
  9fb18d53
- Created ImageDataset · 1cb76ba4
  peastman authored Oct 25, 2018
  
  1cb76ba4
- Merge pull request #1432 from VIGS25/fix-pdbbind-notebook · 787bffa4
  Bharath Ramsundar authored Oct 25, 2018
  787bffa4
- Merge pull request #1433 from VIGS25/get-layer-weights · 14956580
  Bharath Ramsundar authored Oct 25, 2018
  14956580
- Merge pull request #1437 from miaecle/master · fa42240f
  Bharath Ramsundar authored Oct 25, 2018
  fa42240f
Oct 25, 2018
- fix for python3 incompatibility · c72de7a4
  miaecle authored Oct 24, 2018
  
  c72de7a4
Oct 17, 2018
- Fixed testing errors · 4e7d5adb
  Vignesh authored Oct 17, 2018
  
  4e7d5adb
- Added tests; Added missing warnings import in layers.py · c9c38037
  Vignesh authored Oct 16, 2018
  
  c9c38037
Oct 16, 2018
- Added get_layer_weights to tensorgraph · c5c96e34
  Vignesh authored Oct 16, 2018
  
  c5c96e34
Oct 15, 2018
- Fix reproducibility issues with pdbbind notebook; return pdbbind_tasks instead of tasks · 8e644c5d
  Vignesh authored Oct 15, 2018
  
  8e644c5d
- Merge pull request #1431 from VIGS25/fix-pdbbind-grid-loader · 25e38a21
  Bharath Ramsundar authored Oct 14, 2018
  25e38a21
Oct 13, 2018
- fixed indentation error · c8ce9325
  Vignesh authored Oct 13, 2018
  
  c8ce9325
Oct 10, 2018
- Merge BEDROC metric · 902b14f1
  Vignesh Ram Somnath authored Oct 09, 2018
  902b14f1
- Merge pull request #1429 from VIGS25/bedroc_metric · 17e58ef6
  Karl Leswing authored Oct 09, 2018
  17e58ef6
- Revert "Import statement moved to top" · 87f62e8d
  Vignesh authored Oct 09, 2018
  87f62e8d
- Import statement moved to top · d67b56ae
  Vignesh authored Oct 09, 2018
  
  d67b56ae
- Changed BEDROC to use rdkit; Added tests · f3501670
  Vignesh authored Oct 09, 2018
  
  f3501670
Oct 06, 2018
- Merge Loading of UV/Factors/Kinase datasets · 24958ab4
  Vignesh Ram Somnath authored Oct 06, 2018
  24958ab4
- Merge pull request #1416 from VIGS25/code_changes · 1124ab6e
  Bharath Ramsundar authored Oct 05, 2018
  1124ab6e
- Added BEDROC metric · d951b038
  Vignesh authored Oct 06, 2018
  
  d951b038
Oct 05, 2018
- Merge pull request #1414 from miaecle/master · f9510bee
  Bharath Ramsundar authored Oct 04, 2018
  f9510bee
- Merge pull request #3 from deepchem/master · 635c9b09
  Vignesh Ram Somnath authored Oct 04, 2018
  
  635c9b09
- Merge pull request #1424 from VIGS25/enhance-disk-dataset · 2a0aeacc
  Karl Leswing authored Oct 04, 2018
  2a0aeacc
- Merge pull request #1407 from vsag96/FIX-#1043 · fac87370
  Karl Leswing authored Oct 04, 2018
  fac87370
- Merge pull request #1425 from lilleswing/fix-classification-metrics · c9fe0176
  Karl Leswing authored Oct 04, 2018
  c9fe0176
Oct 04, 2018
- Fixed yapf formatting issues, hopefully · a9c2a1ff
  Vignesh authored Oct 03, 2018
  
  a9c2a1ff
- No multi-task for binary metrics · 09df7d78
  leswing authored Oct 03, 2018
  
  09df7d78
- Fix Metrics · 947ffbe1
  leswing authored Oct 03, 2018
  
  947ffbe1
- Added yapf formatting · f7afbc25
  Vignesh authored Oct 03, 2018
  
  f7afbc25
- Added yapf formatting · cc9e811d
  Vignesh authored Oct 03, 2018
  
  cc9e811d
Oct 03, 2018
- changed DiskDataset.from_numpy to work with y=None · 9505c7b0
  Vignesh authored Oct 02, 2018
  
  9505c7b0
- Merge pull request #2 from deepchem/master · 1661fdba
  Vignesh Ram Somnath authored Oct 02, 2018
  1661fdba
- Merge pull request #1423 from vsag96/contrib · c6986172
  Karl Leswing authored Oct 02, 2018
  c6986172

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