Commits · 374fab1a80aa53facde0c8af1ad4457561f40a57 · 钟慕尧 / deepchem · GitLab

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Jun 22, 2021
- 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
- Fixed error in docstring · 84975280
  Peter Eastman authored Jun 20, 2021
  
  84975280
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
- Added a few docstrings, next step: Add tests · d41df665
  Atreya Majumdar authored Jun 14, 2021
  
  d41df665
Jun 14, 2021
- Merge branch 'master' of https://github.com/deepchem/deepchem into Atreya_MAT · ac6c7def
  Atreya Majumdar authored Jun 14, 2021
  
  ac6c7def
- Rolled back conversion to GetDistanceMatrix · 2e6b5059
  Atreya Majumdar authored Jun 14, 2021
  
  2e6b5059
- Changed getAtomicNum to GetAtomicNum · 9d15a5b4
  Atreya Majumdar authored Jun 14, 2021
  
  9d15a5b4
- Made further changes · 5632107f
  Atreya Majumdar authored Jun 14, 2021
  
  5632107f
- Removed cuda declaration, replaced OHVector with deepchem OHE, replaced... · 75810a4d
  Atreya Majumdar authored Jun 14, 2021
  75810a4d
- Merge pull request #2522 from autodataming/patch-1 · 66402d1c
  Bharath Ramsundar authored Jun 13, 2021
  66402d1c
Jun 11, 2021
- Merge pull request #2539 from alat-rights/patch-3 · 8cbc6bec
  Bharath Ramsundar authored Jun 10, 2021
  8cbc6bec
- Initial MAT Featurizer Commit, WIP · 8a3a86e2
  Atreya Majumdar authored Jun 11, 2021
  
  8a3a86e2
- Added Initial Version of MATFeaturizer · 5bf4012a
  Atreya Majumdar authored Jun 10, 2021
  
  5bf4012a
Jun 10, 2021
- Merge pull request #2535 from MariBerry/master · f5631e43
  Bharath Ramsundar authored Jun 09, 2021
  f5631e43
Jun 09, 2021
- Merge pull request #2541 from VIGNESHinZONE/jax · 3b51b5fa
  Bharath Ramsundar authored Jun 08, 2021
  3b51b5fa
- fix dependencies · ab01193c
  VIGNESHinZONE authored Jun 08, 2021
  
  ab01193c
Jun 08, 2021
- transformers dependency · 4a5a120b
  VIGNESHinZONE authored Jun 08, 2021
  
  4a5a120b
- pytorch build · 3fb6257f
  VIGNESHinZONE authored Jun 08, 2021
  
  3fb6257f
- lint 2 · 449dfac5
  VIGNESHinZONE authored Jun 08, 2021
  
  449dfac5
- adding only haiku · 9ddaa983
  VIGNESHinZONE authored Jun 08, 2021
  
  9ddaa983
- lint error · 6630ddf3
  VIGNESHinZONE authored Jun 08, 2021
  
  6630ddf3

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