Commits · 91e5385511a4c0c734e78e5d130d0c8bf0dba10e · 钟慕尧 / deepchem · GitLab

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Jan 18, 2016
- Changes for external data eval. · 91e53855
  Bharath Ramsundar authored Jan 17, 2016
  
  91e53855
Jan 17, 2016
- Adding features to allow prediction workflow · f7801c00
  Bharath Ramsundar authored Jan 16, 2016
  
  f7801c00
- Passing singletask/multitask test suite. · 5273d873
  Bharath Ramsundar authored Jan 16, 2016
  
  5273d873
Jan 16, 2016
- Adding preliminary multitask tests. · 82f05b69
  Bharath Ramsundar authored Jan 15, 2016
  
  82f05b69
- Debugged issue in df_to_numpy · a9c75773
  Bharath Ramsundar authored Jan 15, 2016
  
  a9c75773
- Added simple API test for singletask vector models. · 2d1e586f
  Bharath Ramsundar authored Jan 15, 2016
  
  2d1e586f
- Small merge conflict fix · 43e4c7a7
  Bharath Ramsundar authored Jan 15, 2016
  
  43e4c7a7
- Removed some print statements · 595a7565
  Bharath Ramsundar authored Jan 15, 2016
  
  595a7565
Jan 13, 2016
- Merge pull request #45 from evanfeinberg/master · 3d6d26d0
  Evan N. Feinberg authored Jan 12, 2016
  3d6d26d0
- removed print statements · 17f0acad
  evanfeinberg authored Jan 12, 2016
  
  17f0acad
- 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

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