Commits · eab6ee63c1b3e958abe72a40efb2f5064201731b · 钟慕尧 / deepchem

Browse files

Jun 24, 2021
- Merge pull request #2544 from atreyamaj/Atreya_MAT · eab6ee63
  Bharath Ramsundar authored Jun 23, 2021
  eab6ee63
Jun 23, 2021
- Merge pull request #2560 from VIGNESHinZONE/set · 885b2adb
  Bharath Ramsundar authored Jun 22, 2021
  885b2adb
- jaxlib 0.1.67 · 32d52079
  VIGNESHinZONE authored Jun 23, 2021
  
  32d52079
- yapf fix · 4c0bfae2
  VIGNESHinZONE authored Jun 22, 2021
  
  4c0bfae2
- adding jax req. · 5a4e14de
  VIGNESHinZONE authored Jun 22, 2021
  
  5a4e14de
- Merge branch 'master' into set · cda2f915
  VIGNESHinZONE authored Jun 22, 2021
  
  cda2f915
Jun 22, 2021
- fixed all optional dependency tests · e1efa0db
  VIGNESHinZONE authored Jun 22, 2021
  
  e1efa0db
- fixing test imports · c2a674b7
  VIGNESHinZONE authored Jun 22, 2021
  
  c2a674b7
- Merge pull request #2538 from peastman/uncertainty · cbab9678
  Bharath Ramsundar authored Jun 21, 2021
  cbab9678
- fixing setup.cfg · 0e789243
  VIGNESHinZONE authored Jun 22, 2021
  
  0e789243
- Fixed merge · 9af6acf3
  peastman authored Jun 21, 2021
  
  9af6acf3
- Merged changes from main branch · 4e03bc74
  peastman authored Jun 21, 2021
  
  4e03bc74
- Updated testing molecule · 374fab1a
  Atreya Majumdar authored Jun 22, 2021
  
  374fab1a
- Merge branch 'master' of https://github.com/deepchem/deepchem into Atreya_MAT · 0cd72e44
  Atreya Majumdar authored Jun 22, 2021
  
  0cd72e44
- Merge pull request #2559 from peastman/torchmultitask · 595d13b2
  Bharath Ramsundar authored Jun 21, 2021
  595d13b2
Jun 21, 2021
- pytest3 · dee98c40
  VIGNESHinZONE authored Jun 21, 2021
  
  dee98c40
- fixing pytest 2 · 2d9abad8
  VIGNESHinZONE authored Jun 21, 2021
  
  2d9abad8
- fixing pytest · 856f1e78
  VIGNESHinZONE authored Jun 21, 2021
  
  856f1e78
- just customary check · f80e568d
  VIGNESHinZONE authored Jun 21, 2021
  
  f80e568d
- Fixed error in docstring · 84975280
  Peter Eastman authored Jun 20, 2021
  
  84975280
- fix haiku version · 403c50b0
  VIGNESHinZONE authored Jun 21, 2021
  
  403c50b0
- first commit · cc493db0
  VIGNESHinZONE authored Jun 21, 2021
  
  cc493db0
Jun 20, 2021
- Resolve flake8 issues · e2cdd392
  Atreya Majumdar authored Jun 20, 2021
  
  e2cdd392
- Fixed import error when pytorch is not installed · 186c1689
  Peter Eastman authored Jun 19, 2021
  
  186c1689
- Changed return docstring · d4ea4388
  Atreya Majumdar authored Jun 19, 2021
  
  d4ea4388
Jun 19, 2021
- yapf on test file · 11ace613
  Atreya Majumdar authored Jun 19, 2021
  
  11ace613
- Removed comments · ec664c50
  Atreya Majumdar authored Jun 19, 2021
  
  ec664c50
- Addeed function return type annotation, try-except block for rdkit import · 73d260f0
  Atreya Majumdar authored Jun 19, 2021
  
  73d260f0
- Removed blank line · 851ea515
  Atreya Majumdar authored Jun 19, 2021
  
  851ea515
- Updated with concat func · 7c6a2cf1
  Atreya Majumdar authored Jun 19, 2021
  
  7c6a2cf1
- Updated comparison method · ff639f6a
  Atreya Majumdar authored Jun 19, 2021
  
  ff639f6a
- Added value test for MATFeaturizer · f28673a8
  Atreya Majumdar authored Jun 19, 2021
  
  f28673a8
- Formatting · ae903d10
  Atreya Majumdar authored Jun 19, 2021
  
  ae903d10
- Changed result zeros parameter · ffa3fe1f
  Atreya Majumdar authored Jun 19, 2021
  
  ffa3fe1f
- Concatenated the 3 returned arrays to make one large array · 8535d72d
  Atreya Majumdar authored Jun 19, 2021
  
  8535d72d
- Converted MultitaskRegressor and MultitaskClassifier to PyTorch · 2e40e58f
  Peter Eastman authored Jun 18, 2021
  
  2e40e58f
Jun 18, 2021
- Fixed MATFeaturizer, added tests · 458164ea
  Atreya Majumdar authored Jun 18, 2021
  
  458164ea
Jun 16, 2021
- Added featurizer as a callable method, made new file for tests · b88ef1e2
  Atreya Majumdar authored Jun 16, 2021
  
  b88ef1e2
- Changed RDKitMol to RDKitAtom for atom_features, added example docstring,... · 3b1eed7a
  Atreya Majumdar authored Jun 16, 2021
  3b1eed7a
Jun 15, 2021
- Added more dosctrings, edited existing ones, added params and returns · e375fd95
  Atreya Majumdar authored Jun 15, 2021
  
  e375fd95

Admin message

Commits · eab6ee63c1b3e958abe72a40efb2f5064201731b