Commits · 3e97dbd296cf19f3e6603e505a6981a9d10f29b0 · 钟慕尧 / deepchem

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Mar 28, 2019
- Merge pull request #1548 from deepchem/rbharath-patch-8 · 3e97dbd2
  Bharath Ramsundar authored Mar 27, 2019
  3e97dbd2
- Update setup.cfg · 83934786
  Bharath Ramsundar authored Mar 27, 2019
  
  83934786
Mar 23, 2019
- Merge pull request #1540 from ihaque/fix-muv-loading · f06f0001
  Bharath Ramsundar authored Mar 22, 2019
  f06f0001
Mar 20, 2019
- Fix loading of MUV with `reload = False` · 0a6d8ee3
  Imran Haque authored Mar 19, 2019
  0a6d8ee3
Mar 17, 2019
- Merge pull request #1535 from peastman/errors · 6c1ded50
  Bharath Ramsundar authored Mar 16, 2019
  6c1ded50
Mar 16, 2019
- Marked another test as flaky · c4568e49
  Peter Eastman authored Mar 15, 2019
  
  c4568e49
- Marked a test as flaky · c187fa7a
  Peter Eastman authored Mar 15, 2019
  
  c187fa7a
- Fixed test failures · 1505650f
  Peter Eastman authored Mar 15, 2019
  
  1505650f
- Changes to fix failing test cases · 97591e0a
  Peter Eastman authored Mar 15, 2019
  
  97591e0a
Mar 12, 2019
- Merge pull request #1527 from deepchem/rbharath-patch-8 · a387ec74
  Bharath Ramsundar authored Mar 11, 2019
  a387ec74
Mar 11, 2019
- Update README.md with author ordering. · cb013e03
  Bharath Ramsundar authored Mar 10, 2019
  
  cb013e03
Feb 22, 2019
- Merge pull request #1513 from VIGS25/symmetry-rename · 4589009d
  Bharath Ramsundar authored Feb 21, 2019
  4589009d
- Merge pull request #1514 from VIGS25/dataset-loggin · 450df5b5
  Bharath Ramsundar authored Feb 21, 2019
  450df5b5
- Merge pull request #1515 from peastman/tf112 · 668a47d2
  Bharath Ramsundar authored Feb 21, 2019
  668a47d2
Feb 21, 2019
- Upgrade to TensorFlow 1.12 · 5f07396e
  peastman authored Feb 20, 2019
  
  5f07396e
- Added verbose for DiskDataset.transform · 219ed1d8
  Vignesh authored Feb 20, 2019
  
  219ed1d8
Feb 20, 2019
- BPSymmetryFunction -> BPSymmetryFunctionInput · 4062e116
  Vignesh authored Feb 19, 2019
  
  4062e116
Feb 12, 2019
- Merge pull request #1507 from peastman/splitseed · 3574d1c3
  Bharath Ramsundar authored Feb 11, 2019
  3574d1c3
- Splitters use random seed correctly · ea451712
  peastman authored Feb 11, 2019
  
  ea451712
Feb 05, 2019
- Merge pull request #1503 from peastman/pdbbind · 3d926441
  Bharath Ramsundar authored Feb 04, 2019
  3d926441
Jan 31, 2019
- Another attempt at getting metric to work · 6d659896
  Peter Eastman authored Jan 30, 2019
  
  6d659896
Jan 30, 2019
- Fixed errors running PDBBind example code · af38053a
  Peter Eastman authored Jan 29, 2019
  
  af38053a
Jan 22, 2019
- Merge pull request #1500 from peastman/seqtoseq · 015254c3
  Bharath Ramsundar authored Jan 21, 2019
  015254c3
- Merge pull request #1495 from VIGS25/make-estimator · 7e034d6e
  Bharath Ramsundar authored Jan 21, 2019
  7e034d6e
Jan 18, 2019
- Made test case a bit more reliable · 5959c165
  Peter Eastman authored Jan 17, 2019
  
  5959c165
Jan 17, 2019
- Improvements to SeqToSeq · 02627ce8
  Peter Eastman authored Jan 16, 2019
  
  02627ce8
Jan 16, 2019
- Merge pull request #1497 from VIGS25/load-binding-pocket · 27a3000f
  Bharath Ramsundar authored Jan 15, 2019
  27a3000f
- Merge pull request #1499 from VIGS25/butina-splitter · 12cfc195
  Bharath Ramsundar authored Jan 15, 2019
  12cfc195
- Merge pull request #1498 from VIGS25/deepmhc · 85519020
  Bharath Ramsundar authored Jan 15, 2019
  85519020
- Merge pull request #1488 from VIGS25/conv-on-graph · c0a22937
  Bharath Ramsundar authored Jan 15, 2019
  c0a22937
- Removed the custom-predict method · 2e0df36b
  Vignesh authored Jan 15, 2019
  
  2e0df36b
- Fixes to remove batch size dependence · db43fe5c
  Vignesh authored Jan 15, 2019
  
  db43fe5c
Jan 14, 2019
- Fixes and run training for longer · 7e80ca07
  Vignesh authored Jan 14, 2019
  
  7e80ca07
- Support kwargs for all Splitter methods · f69840a2
  Vignesh authored Jan 13, 2019
  
  f69840a2
- Yapf · fd536039
  Vignesh authored Jan 13, 2019
  
  fd536039
- Running example model using HAGCN · 3ea6fae3
  Vignesh authored Jan 13, 2019
  
  3ea6fae3
Jan 13, 2019
- A running DeepMHC model · 7ed82c98
  Vignesh authored Jan 13, 2019
  
  7ed82c98
Jan 12, 2019
- Use binding pockets for load_pdbbind · 38826304
  Vignesh authored Jan 11, 2019
  
  38826304
- Yapf & sample size change · 3906f2ec
  Vignesh authored Jan 11, 2019
  
  3906f2ec
- Changed feature shapes to deal with tf.feature_column · 3f8be5df
  Vignesh authored Jan 11, 2019
  
  3f8be5df

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Commits · 3e97dbd296cf19f3e6603e505a6981a9d10f29b0