Commits · dc9fdd8dcc53833f448febccbab174927d71f9e6 · 钟慕尧 / deepchem

Browse files

Jul 17, 2020
- Scoring function · dc9fdd8d
  Bharath Ramsundar authored May 06, 2020
  
  dc9fdd8d
- changes · 0015bfa3
  Bharath Ramsundar authored May 06, 2020
  
  0015bfa3
- Clean up fragment utils and continue docking cleanup · 4b53c457
  Bharath Ramsundar authored May 04, 2020
  
  4b53c457
- added fragment · b708b6b1
  Bharath Ramsundar authored May 02, 2020
  
  b708b6b1
- More tests · 4248b8d3
  Bharath Ramsundar authored May 02, 2020
  
  4248b8d3
- changes · b6d4b18e
  Bharath Ramsundar authored May 02, 2020
  
  b6d4b18e
- voxel · aa8095e1
  Bharath Ramsundar authored May 01, 2020
  
  aa8095e1
- Partial splif cleanup · f1665bc8
  Bharath Ramsundar authored May 01, 2020
  
  f1665bc8
- Adding splif tests · 7bcdbe76
  Bharath Ramsundar authored Apr 30, 2020
  
  7bcdbe76
- Cleaning up voxels · 71a40f4c
  Bharath Ramsundar authored Apr 30, 2020
  
  71a40f4c
- Changes · 95b9edbf
  Bharath Ramsundar authored Apr 30, 2020
  
  95b9edbf
- Changes · d896de6e
  Bharath Ramsundar authored Apr 29, 2020
  
  d896de6e
- Continuing tests · 9941c40f
  Bharath Ramsundar authored Apr 29, 2020
  
  9941c40f
- Fixed constituent featurizers · 3234e61e
  Bharath Ramsundar authored Apr 28, 2020
  
  3234e61e
- testing voxelizers · 8cf1dd33
  Bharath Ramsundar authored Apr 28, 2020
  
  8cf1dd33
- Start on voxel testing · 5ad01702
  Bharath Ramsundar authored Apr 28, 2020
  
  5ad01702
- Contact map · c89bc79f
  Bharath Ramsundar authored Apr 27, 2020
  
  c89bc79f
- Features · a97636b7
  Bharath Ramsundar authored Apr 24, 2020
  
  a97636b7
- Contact fingerprints · 4407e4ce
  Bharath Ramsundar authored Apr 24, 2020
  
  4407e4ce
- PDBBind expansion · 028c208d
  Bharath Ramsundar authored Apr 23, 2020
  
  028c208d
- Changes · 110dc734
  Bharath Ramsundar authored Apr 22, 2020
  
  110dc734
- Changes · 3a70ec24
  Bharath Ramsundar authored Apr 21, 2020
  
  3a70ec24
- Trying to hbond featurizers working · 2f144e31
  Bharath Ramsundar authored Apr 21, 2020
  
  2f144e31
- Cleaning up rdkit grid featurizer · f6f80625
  Bharath Ramsundar authored Apr 20, 2020
  
  f6f80625
- changes · 1a2050ba
  Bharath Ramsundar authored Apr 20, 2020
  
  1a2050ba
- Continuing factoring · cafb2dca
  Bharath Ramsundar authored Apr 19, 2020
  
  cafb2dca
- refactoring rdkit grid featurizer · d6c0f61c
  Bharath Ramsundar authored Apr 18, 2020
  
  d6c0f61c
- Cleanup · cf1b17c8
  Bharath Ramsundar authored Apr 17, 2020
  
  cf1b17c8
- Changes · 782afc02
  Bharath Ramsundar authored Apr 17, 2020
  
  782afc02
- Starting rdkit grid featurizer cleanup · 225b0934
  Bharath Ramsundar authored Apr 17, 2020
  
  225b0934
- Remove verbose and adjust featurizing classes · 8bfa5990
  Bharath Ramsundar authored Apr 17, 2020
  
  8bfa5990
- Changes · 39d93bb9
  Bharath Ramsundar authored Apr 16, 2020
  
  39d93bb9
- Changes · 6bc98744
  Bharath Ramsundar authored Apr 16, 2020
  
  6bc98744
- more cleanup · 38d261f0
  Bharath Ramsundar authored Apr 15, 2020
  
  38d261f0
- changes · fded6b40
  Bharath Ramsundar authored Apr 14, 2020
  
  fded6b40
- Changes · 4ac84a61
  Bharath Ramsundar authored Apr 13, 2020
  
  4ac84a61
- Model restore example · 936cf801
  Bharath Ramsundar authored Apr 13, 2020
  
  936cf801
- Changes · 613f1d71
  Bharath Ramsundar authored Apr 11, 2020
  
  613f1d71
- Changes · ea7db889
  Bharath Ramsundar authored Apr 10, 2020
  
  ea7db889
- Example updates · 6b0cc23a
  Bharath Ramsundar authored Apr 10, 2020
  
  6b0cc23a

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Commits · dc9fdd8dcc53833f448febccbab174927d71f9e6