Commits · 3b3a06ad8402079c2d18718349d5f0f212ac7b81 · 钟慕尧 / deepchem

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Dec 12, 2020
- Init commit complex featurizer refactor · 3b3a06ad
  Nathan Frey authored Dec 11, 2020
  
  3b3a06ad
Dec 09, 2020
- Merge pull request #2 from deepchem/master · 6d00005e
  Nathan Frey authored Dec 08, 2020
  6d00005e
Dec 05, 2020
- Merge pull request #2313 from peastman/install · c3b5d77f
  peastman authored Dec 04, 2020
  c3b5d77f
- Fixed errors installing PyTorch Geometric · f56ae6dc
  peastman authored Dec 04, 2020
  
  f56ae6dc
Dec 04, 2020
- Merge pull request #2212 from deepchem/interaction · 2331a1fe
  Bharath Ramsundar authored Dec 03, 2020
  2331a1fe
- Merge pull request #2304 from peastman/molnet · ff137c65
  peastman authored Dec 03, 2020
  ff137c65
- Merge pull request #2306 from peastman/tutorials · e1e1a1f0
  peastman authored Dec 03, 2020
  e1e1a1f0
Dec 03, 2020
- Fixed test failures · bc6c001f
  peastman authored Dec 02, 2020
  
  bc6c001f
Dec 02, 2020
- Updated tutorial on reinforcement learning · 3992cb33
  peastman authored Dec 01, 2020
  
  3992cb33
- Fixing type errors · 35288b8f
  Nathan Frey authored Dec 01, 2020
  
  35288b8f
Nov 26, 2020
- Merge pull request #2305 from peastman/tutorials · 6c5a5405
  peastman authored Nov 25, 2020
  6c5a5405
- More updates to tutorials · e19d9cc4
  peastman authored Nov 25, 2020
  
  e19d9cc4
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 21, 2020
- Fixing flake8 issues · 6675474e
  Bharath Ramsundar authored Nov 20, 2020
  
  6675474e
- Commenting out hbond tests · 0988767f
  Bharath Ramsundar authored Nov 20, 2020
  
  0988767f
- old changes · d0d58988
  Bharath Ramsundar authored Nov 20, 2020
  
  d0d58988
- Cleaning up and adding tests · 536f97d4
  Bharath Ramsundar authored Nov 09, 2020
  
  536f97d4
- Starting to add tests for grid featurizers · 260581b8
  Bharath Ramsundar authored Nov 05, 2020
  
  260581b8
- Fixing mypy · dce38628
  Bharath Ramsundar authored Nov 04, 2020
  
  dce38628
- Fixing tests · 84f9046e
  Bharath Ramsundar authored Nov 04, 2020
  
  84f9046e
- Debugging splif fingerprints/voxelizer · 65cd15b9
  Bharath Ramsundar authored Oct 14, 2020
  
  65cd15b9
- Making progress on debugging tests · d0b20b17
  Bharath Ramsundar authored Oct 13, 2020
  
  d0b20b17
- Working towards fixing contact tests · 03b787d3
  Bharath Ramsundar authored Oct 12, 2020
  
  03b787d3
- Initial commit · ef84623c
  Bharath Ramsundar authored Oct 12, 2020
  
  ef84623c
Nov 19, 2020
- Merge pull request #2284 from nd-02110114/update-api-docs-1 · c9f0da15
  Daiki Nishikawa authored Nov 19, 2020
  c9f0da15
- Converted material datasets to new API · 605386a6
  peastman authored Nov 18, 2020
  
  605386a6
Nov 17, 2020
- 📝 fix docs · 536d0212
  nd-02110114 authored Nov 17, 2020
  
  536d0212
- 📝 fix flake8 error · 777534fd
  nd-02110114 authored Nov 17, 2020
  
  777534fd
- 🐛 fix typo · 1f587d12
  nd-02110114 authored Nov 17, 2020
  
  1f587d12
- 🐛 update type annotarions and docs · 93cbcaf7
  nd-02110114 authored Nov 17, 2020
  
  93cbcaf7
- 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

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Commits · 3b3a06ad8402079c2d18718349d5f0f212ac7b81