Commits · d32d9990318cbb0982110662f09596c6256d3ceb · 钟慕尧 / deepchem · GitLab

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Jan 13, 2016
- miscellaneous OOP fixes · d32d9990
  evanfeinberg authored Jan 12, 2016
  
  d32d9990
Jan 12, 2016
- added dataset · ecda59f1
  evanfeinberg authored Jan 11, 2016
  
  ecda59f1
- Merge pull request #44 from rbharath/predict-new · 8907dc23
  Bharath Ramsundar authored Jan 11, 2016
  8907dc23
- solved some bugs · 47be8a55
  evanfeinberg authored Jan 11, 2016
  
  47be8a55
Jan 11, 2016
- Eval bug now looks fixed. Need to fix fit() to handle minibatches. · f0f841be
  Bharath Ramsundar authored Jan 10, 2016
  
  f0f841be
- Fixed insidious typo in train_test_split causing eval issues. Some NaN issues now though. · 92d262ee
  Bharath Ramsundar authored Jan 10, 2016
  
  92d262ee
- Fixed some bugs in sklearn model usage. · f664d079
  Bharath Ramsundar authored Jan 10, 2016
  
  f664d079
Jan 09, 2016
- Cleaned up modeler, but eval still broken. · 2860de81
  Bharath Ramsundar authored Jan 08, 2016
  
  2860de81
- API fully converted. Eval still broken though... · f440639b
  Bharath Ramsundar authored Jan 08, 2016
  
  f440639b
Jan 08, 2016
- Fixed bug in normalization. Still bug in train/test eval. · c3d0520f
  Bharath Ramsundar authored Jan 07, 2016
  
  c3d0520f
- STDNN now runs to completion, but numbers look a little suspect. · a4ab24f3
  Bharath Ramsundar authored Jan 07, 2016
  
  a4ab24f3
Jan 07, 2016
- Debugged Sample class. Still crashes downstream. · b191fe4c
  Bharath Ramsundar authored Jan 06, 2016
  
  b191fe4c
- Cleaned up modeler some. · a2e91325
  Bharath Ramsundar authored Jan 06, 2016
  
  a2e91325
- First pass of Samples class. · 6b80747e
  Bharath Ramsundar authored Jan 06, 2016
  
  6b80747e
- Halfway through refactoring data-load/featurization code. · 25f19f49
  Bharath Ramsundar authored Jan 06, 2016
  
  25f19f49
- Added abstract base KerasModel class. · 6963843d
  Bharath Ramsundar authored Jan 06, 2016
  
  6963843d
- First stage of cleanup. · ca7129ec
  Bharath Ramsundar authored Jan 06, 2016
  
  ca7129ec
- First stage of cleanup. · 7ea0ab46
  Bharath Ramsundar authored Jan 06, 2016
  
  7ea0ab46
- Save/load integrated into class. · fa5e9cce
  Bharath Ramsundar authored Jan 06, 2016
  
  fa5e9cce
Jan 06, 2016
- Rename deep_chem to deepchem · 786a2ca9
  Bharath Ramsundar authored Jan 05, 2016
  
  786a2ca9
- More progress in OO. Debugging model stats. · 403bcfd1
  Bharath Ramsundar authored Jan 05, 2016
  
  403bcfd1
Jan 05, 2016
- Continuing OO refactor. · 801dd394
  Bharath Ramsundar authored Jan 04, 2016
  
  801dd394
- Simple FeaturizedDataset tests are passing. · c013e405
  Bharath Ramsundar authored Jan 04, 2016
  
  c013e405
Jan 04, 2016
- Basic structure of FeaturizedDataset. · 836dcfbe
  Bharath Ramsundar authored Jan 03, 2016
  
  836dcfbe
Jan 02, 2016
- Added Vanilla DNN Model impl. Stil debugging eval. · 2f703bf4
  Bharath Ramsundar authored Jan 01, 2016
  
  2f703bf4
Jan 01, 2016
- Merge pull request #35 from evanfeinberg/master · 415033d0
  Bharath Ramsundar authored Dec 31, 2015
  415033d0
- improved normalization and added parallelization · 34925328
  evanfeinberg authored Dec 31, 2015
  
  34925328
Dec 19, 2015
- added additional sharding to deal with GPU mem limit · 0339c2d4
  evanfeinberg authored Dec 18, 2015
  
  0339c2d4
- fixed issue with border mode. · d4519b34
  evanfeinberg authored Dec 18, 2015
  
  d4519b34
Dec 18, 2015
- fixed convolutional 3D fitting and eval. · fde59eb8
  evanfeinberg authored Dec 17, 2015
  
  fde59eb8
Dec 16, 2015
- Fixed previous commit. Now crashing on 3D CNN's · 719e4bc9
  evanfeinberg authored Dec 16, 2015
  
  719e4bc9
- major refactor. added eval_on_batch · 658c0b91
  evanfeinberg authored Dec 15, 2015
  
  658c0b91
Dec 15, 2015
- added new model and fit framework · 0fdabafb
  evanfeinberg authored Dec 14, 2015
  
  0fdabafb
Dec 08, 2015
- merged changes · 9c5594d2
  evanfeinberg authored Dec 07, 2015
  
  9c5594d2
- started making accept multiple feature files · c3c2d080
  evanfeinberg authored Dec 07, 2015
  
  c3c2d080
Dec 05, 2015
- Merge pull request #32 from rbharath/multitask · 6d4f6df0
  Bharath Ramsundar authored Dec 04, 2015
  6d4f6df0
- Cleanup. · ee5cccc0
  Bharath Ramsundar authored Dec 04, 2015
  
  ee5cccc0
- Multitask fixes. · a247f348
  Bharath Ramsundar authored Dec 04, 2015
  
  a247f348
Dec 04, 2015
- Multitask eval runs to completion. Need to fix csv saving still. · de7eb3fe
  Bharath Ramsundar authored Dec 03, 2015
  
  de7eb3fe
Dec 03, 2015
- pylint fixes and python3 upgrades · f4a665f8
  Bharath Ramsundar authored Dec 02, 2015
  
  f4a665f8

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