Commits · 9941c40fb4615a975c9a676a63f7cd02392a7000 · 钟慕尧 / deepchem

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Jul 17, 2020
- 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
- Move petroskisuch to contrib · 949699dc
  Bharath Ramsundar authored Apr 08, 2020
  
  949699dc
- Fixing more examples · a7156e44
  Bharath Ramsundar authored Apr 08, 2020
  
  a7156e44
- Changes · f4d76863
  Bharath Ramsundar authored Apr 08, 2020
  
  f4d76863
- Examples · bf289292
  Bharath Ramsundar authored Apr 01, 2020
  
  bf289292
- Removing roitberg examples · 7a709f4d
  Bharath Ramsundar authored Apr 01, 2020
  
  7a709f4d
- Renaming · 2ac3e693
  Bharath Ramsundar authored Apr 01, 2020
  
  2ac3e693
- Cleanup · 5e034afc
  Bharath Ramsundar authored Apr 01, 2020
  
  5e034afc
- Changes · c1a2782c
  Bharath Ramsundar authored Apr 01, 2020
  
  c1a2782c
- Cleanup · 9e06c733
  Bharath Ramsundar authored Apr 01, 2020
  
  9e06c733
- Cleaning up readmes · 10dc6282
  Bharath Ramsundar authored Apr 01, 2020
  
  10dc6282
- Cleanup · bdef36f6
  Bharath Ramsundar authored Apr 01, 2020
  
  bdef36f6
- Movement · 1f1e0024
  Bharath Ramsundar authored Apr 01, 2020
  
  1f1e0024

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Commits · 9941c40fb4615a975c9a676a63f7cd02392a7000