Commits · 6f4ba45dcf3e2b22b3a9444c005a91aca10417df · 钟慕尧 / deepchem · GitLab

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Dec 02, 2015
- Initial commit of refactored dataset handling · 6f4ba45d
  Bharath Ramsundar authored Dec 01, 2015
  
  6f4ba45d
Dec 01, 2015
- Pause before design review on avoiding feature-array dup in singletask. · b9efcd34
  Bharath Ramsundar authored Nov 30, 2015
  
  b9efcd34
- Fixed merge conflicts · 0cfd0d4f
  Bharath Ramsundar authored Nov 30, 2015
  
  0cfd0d4f
- Fixes to multitask loading pipeline. · 9ffb217f
  Bharath Ramsundar authored Nov 30, 2015
  
  9ffb217f
Nov 26, 2015
- made data munging more efficient · f2dca20f
  evanfeinberg authored Nov 25, 2015
  
  f2dca20f
Nov 24, 2015
- Merge pull request #27 from rbharath/quick · 63ada38a
  Bharath Ramsundar authored Nov 23, 2015
  63ada38a
- More pylint for featurize · 913f3c03
  Bharath Ramsundar authored Nov 23, 2015
  
  913f3c03
- Some more pylint fixes. · c2c07365
  Bharath Ramsundar authored Nov 23, 2015
  
  c2c07365
- pylint fixes on modeler. · 41e399bf
  Bharath Ramsundar authored Nov 23, 2015
  
  41e399bf
Nov 23, 2015
- Extra fixes to make model construction easier from cmdline. · 9dd46304
  Bharath Ramsundar authored Nov 22, 2015
  
  9dd46304
- Made a few changes to make it easier to invoke model from shell script wrapper. · 32dc3131
  Bharath Ramsundar authored Nov 22, 2015
  
  32dc3131
- model command now builds basic models. · c7939b38
  Bharath Ramsundar authored Nov 22, 2015
  
  c7939b38
Nov 22, 2015
- Laying further groundwork for model command. · dc6abe20
  Bharath Ramsundar authored Nov 21, 2015
  
  dc6abe20
Nov 21, 2015
- Added first version of model command. Need to wire in connections to make it run. · 67a19613
  Bharath Ramsundar authored Nov 20, 2015
  
  67a19613
Nov 20, 2015
- Merge pull request #19 from bowenliu16/master · b5a1f89e
  Bharath Ramsundar authored Nov 19, 2015
  b5a1f89e
Nov 19, 2015
- Changes to linux installation · c80b43a1
  Bowen Liu authored Nov 18, 2015
  
  c80b43a1
- Fixed hyperlinks in linux installation guide · 693b8b01
  Bowen Liu authored Nov 18, 2015
  
  693b8b01
- Fixed some formatting issues with the linux installation guide · 73a724e7
  Bowen Liu authored Nov 18, 2015
  
  73a724e7
- Added linux installation guide to README.md · 7a641cc1
  Bowen Liu authored Nov 18, 2015
  
  7a641cc1
Nov 17, 2015
- Merge pull request #16 from rbharath/fixes · f6b13490
  Evan N. Feinberg authored Nov 16, 2015
  f6b13490
Nov 16, 2015
- Fixed issues that came up in analyzing BACE dataset. · 480514ff
  Bharath Ramsundar authored Nov 15, 2015
  
  480514ff
- Some cleanup to remove cruft code. · 71e75033
  Bharath Ramsundar authored Nov 15, 2015
  
  71e75033
- Finally fixed last bugs in undoing transform. · 87e68078
  Bharath Ramsundar authored Nov 15, 2015
  
  87e68078
- Fixed bugs in undo_transform_outputs · a2ba234d
  Bharath Ramsundar authored Nov 15, 2015
  
  a2ba234d
- Undoing transforms is partially debugged. · 00eeac13
  Bharath Ramsundar authored Nov 15, 2015
  
  00eeac13
- Initial changes to save store transformed data. · 6d44182d
  Bharath Ramsundar authored Nov 15, 2015
  
  6d44182d
Nov 15, 2015
- Added ability to save keras models · 0d274fee
  Bharath Ramsundar authored Nov 14, 2015
  
  0d274fee
- Now saving train/test data separately. Allows for eval of model on train and on test separately. · 241c90a3
  Bharath Ramsundar authored Nov 14, 2015
  
  241c90a3
- Removed extraneous imports and updated CSV files to display molecular IDs · 5d54bc74
  Bharath Ramsundar authored Nov 14, 2015
  
  5d54bc74
- Minor changes for CANVAS loading. · 15f8d3aa
  Bharath Ramsundar authored Nov 14, 2015
  
  15f8d3aa
- Got model to report correct R^2 · bfb618e9
  Bharath Ramsundar authored Nov 14, 2015
  
  bfb618e9
Nov 13, 2015
- Narrowing down bug to something wrong in modeler eval. · 38164b64
  Bharath Ramsundar authored Nov 12, 2015
  
  38164b64
- First stab at an added transform command. · c422e15f
  Bharath Ramsundar authored Nov 12, 2015
  
  c422e15f
- More cleanup. Last commit before start of some API surgery. · c2c3cd44
  Bharath Ramsundar authored Nov 12, 2015
  
  c2c3cd44
- Some cleanup in preparation for PR. · 824d1c4a
  Bharath Ramsundar authored Nov 12, 2015
  
  824d1c4a
Nov 12, 2015
- Some more loading changes · f5169457
  Bharath Ramsundar authored Nov 12, 2015
  
  f5169457
- Made featurization use vs_utils API instead of calling script. · 743a31cd
  Bharath Ramsundar authored Nov 12, 2015
  
  743a31cd
- Added saving capabilities (for sklearn) and got models to train and evaluate. Still buggy though. · 8e94c597
  Bharath Ramsundar authored Nov 12, 2015
  
  8e94c597
- required changes to load CANVAS features · 52631518
  Bharath Ramsundar authored Nov 11, 2015
  
  52631518
Nov 10, 2015
- Merge pull request #14 from joegomes/fixreadme · 1d396a11
  Joe Gomes authored Nov 09, 2015
  1d396a11

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