Commits · 480514ff5ae41644f9f241bec00968841c64495f · 钟慕尧 / deepchem · GitLab

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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 09, 2015
- First round of changes for subcommand architecture · b7da7209
  Bharath Ramsundar authored Nov 08, 2015
  
  b7da7209
- changes to standard. · 4777a227
  Bharath Ramsundar authored Nov 08, 2015
  
  4777a227
- Factored out evaluation code into separate function. · e3732c6e
  Bharath Ramsundar authored Nov 08, 2015
  
  e3732c6e
Nov 06, 2015
- Merge pull request #13 from evanfeinberg/master · 6d910d96
  Bharath Ramsundar authored Nov 05, 2015
  6d910d96
- removed print and deprecated functions · 50fbddcc
  evanfeinberg authored Nov 05, 2015
  
  50fbddcc
- removed pycs, added .gitignore · 42bec306
  evanfeinberg authored Nov 05, 2015
  
  42bec306
- removed txt files · 1722c5a9
  evanfeinberg authored Nov 05, 2015
  
  1722c5a9
- removed pyc files · 24720e49
  evanfeinberg authored Nov 05, 2015
  
  24720e49
- improved functionality for featurization · b86ddab0
  evanfeinberg authored Nov 05, 2015
  
  b86ddab0
Nov 05, 2015
- Merge branch 'master' of https://github.com/pandegroup/deep-learning · 9f59c11c
  evanfeinberg authored Nov 04, 2015
  
  9f59c11c
- Merge pull request #7 from rbharath/descriptor · f01ed589
  Bharath Ramsundar authored Nov 04, 2015
  f01ed589
- Resolved merge issues. · bf1810e4
  Bharath Ramsundar authored Nov 04, 2015
  
  bf1810e4
Nov 03, 2015
- compatibility with 3d grid features · 5356d962
  evanfeinberg authored Nov 02, 2015
  
  5356d962
- fixed data processing · 06f53b70
  evanfeinberg authored Nov 02, 2015
  
  06f53b70
- Merge pull request #12 from bowenliu16/testing · cab666f3
  Bowen Liu authored Nov 02, 2015
  cab666f3
- Readded the code that removed the first line of csv · 2496eef0
  Bowen Liu authored Nov 02, 2015
  
  2496eef0
- Added -delimiter flag for csv input. Other fixes · 7bb681b9
  Bowen Liu authored Nov 02, 2015
  
  7bb681b9
Nov 02, 2015
- Last changes · 819de9f4
  Bharath Ramsundar authored Nov 02, 2015
  
  819de9f4
- Adding CSV output support. · 9cfaee15
  Bharath Ramsundar authored Nov 01, 2015
  
  9cfaee15
- Fixed a few .csv and .xlsx file processing bugs · 86bae1c4
  Bowen Liu authored Nov 01, 2015
  
  86bae1c4
- Specified train/test splits now work. Thresholding for regression datasets now works. · 1f756744
  Bharath Ramsundar authored Nov 01, 2015
  
  1f756744

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