Commits · bc6c001fdf8899c711120ef4773c40d514ed72d6 · 钟慕尧 / deepchem

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Dec 03, 2020
- Fixed test failures · bc6c001f
  peastman authored Dec 02, 2020
  
  bc6c001f
Nov 25, 2020
- Improved display of example code in docs · ecd4b12a
  peastman authored Nov 24, 2020
  
  ecd4b12a
- Added test case for fix to array shape handling · 326a23b5
  peastman authored Nov 24, 2020
  
  326a23b5
Nov 24, 2020
- Fixed mypy errors · 14e7e8d3
  peastman authored Nov 23, 2020
  
  14e7e8d3
- Converted PCBA to new API · 2b665347
  peastman authored Nov 23, 2020
  
  2b665347
Nov 19, 2020
- Converted material datasets to new API · 605386a6
  peastman authored Nov 18, 2020
  
  605386a6
Nov 17, 2020
- Merge pull request #2300 from ncfrey/flake8-fix · ec4dd49a
  Nathan Frey authored Nov 16, 2020
  ec4dd49a
Nov 16, 2020
- Flake8 fix · 22fb0cbe
  Nathan Frey authored Nov 16, 2020
  
  22fb0cbe
- Merge pull request #2293 from mufeili/master · 998382d3
  Bharath Ramsundar authored Nov 15, 2020
  998382d3
Nov 15, 2020
- CI · fcca3bde
  mufeili authored Nov 15, 2020
  
  fcca3bde
- Update · efaf4b34
  mufeili authored Nov 15, 2020
  
  efaf4b34
- Merge pull request #2288 from aksub99/Add_composition_featurizer · 7c392f6f
  Bharath Ramsundar authored Nov 14, 2020
  7c392f6f
- Update · 25720503
  mufeili authored Nov 15, 2020
  
  25720503
- Merge pull request #2297 from peastman/molnet · 7177c685
  peastman authored Nov 14, 2020
  7177c685
- Update · a78e1308
  mufeili authored Nov 15, 2020
  
  a78e1308
Nov 14, 2020
- Update · 15c6486f
  mufeili authored Nov 14, 2020
  
  15c6486f
- Update · 101355e8
  mufeili authored Nov 14, 2020
  
  101355e8
- Update · cd9a5536
  mufeili authored Nov 14, 2020
  
  cd9a5536
- Add unit tests for elemnet featurizer · b9edb908
  Akshay Subramanian authored Nov 14, 2020
  
  b9edb908
- Fixed test failures · 5dc15270
  peastman authored Nov 13, 2020
  
  5dc15270
- Merge pull request #2298 from ncfrey/docking-dev · 97af34ab
  Nathan Frey authored Nov 13, 2020
  97af34ab
- docstring update · 34794358
  Nathan Frey authored Nov 13, 2020
  
  34794358
- Change name of featurizer to ElemNetFeaturizer · f55f0ffa
  Akshay Subramanian authored Nov 14, 2020
  
  f55f0ffa
- Update · 9bc97f2a
  mufeili authored Nov 14, 2020
  
  9bc97f2a
- add args · b9bfca87
  Nathan Frey authored Nov 13, 2020
  
  b9bfca87
- Removed test that didn't really load the dataset it claimed to · 32fef346
  peastman authored Nov 13, 2020
  
  32fef346
Nov 13, 2020
- Fixed errors · 31dd8d58
  peastman authored Nov 12, 2020
  
  31dd8d58
- add prepare inputs utility · 9fa2e45d
  Nathan Frey authored Nov 12, 2020
  
  9fa2e45d
- Converted more loaders to new API · 82f7b8b8
  peastman authored Nov 12, 2020
  
  82f7b8b8
Nov 12, 2020
- Update · aa9e28c9
  mufeili authored Nov 12, 2020
  
  aa9e28c9
- Update · bdc73970
  mufeili authored Nov 12, 2020
  
  bdc73970
- Converted QM7, QM8, and QM9 to new API · 61f9f0f1
  peastman authored Nov 11, 2020
  
  61f9f0f1
- Fix wrong vector dimension · 40762ace
  Akshay Subramanian authored Nov 11, 2020
  
  40762ace
- Remove unnecessary imports and lines · 7cd16c5e
  Akshay Subramanian authored Nov 11, 2020
  
  7cd16c5e
- Switch to Pymatgen API · 6b8c755c
  Akshay Subramanian authored Nov 11, 2020
  
  6b8c755c
Nov 11, 2020
- Update · 494ecb96
  mufeili authored Nov 11, 2020
  
  494ecb96
- Update · 7a6ac7e8
  mufeili authored Nov 11, 2020
  
  7a6ac7e8
Nov 10, 2020
- Merge pull request #2280 from mufeili/master · 968e521d
  Bharath Ramsundar authored Nov 09, 2020
  968e521d
- udpate · 9822f076
  mufeili authored Nov 10, 2020
  
  9822f076
- CI · ac5b448d
  mufeili authored Nov 10, 2020
  
  ac5b448d

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Commits · bc6c001fdf8899c711120ef4773c40d514ed72d6