Commits · 90f983d47ba4f799d64fbc2bb3e11ae350ed46e8 · 钟慕尧 / deepchem

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Mar 12, 2021
- Merge pull request #2432 from peastman/contributions · 90f983d4
  Peter Eastman authored Mar 11, 2021
  90f983d4
Mar 10, 2021
- Revised tutorial on atomic contributions · 17365b0a
  Peter Eastman authored Mar 09, 2021
  
  17365b0a
- Merge pull request #2429 from ncfrey/rdgf-book-example-fix · ac98cf0f
  Bharath Ramsundar authored Mar 09, 2021
  ac98cf0f
- Delete out of box warning · 558976d8
  Nathan Frey authored Mar 09, 2021
  
  558976d8
- handle complex feat failures · d6606e8d
  Nathan Frey authored Mar 09, 2021
  
  d6606e8d
Mar 09, 2021
- dimension fix · 542fafd0
  Nathan Frey authored Mar 08, 2021
  
  542fafd0
Mar 06, 2021
- Merge pull request #2365 from MariBerry/master · 698519d7
  Bharath Ramsundar authored Mar 05, 2021
  698519d7
Mar 05, 2021
- Merge pull request #2423 from ncfrey/rdkitgridfeaturizer-refactor · a1d38afb
  Nathan Frey authored Mar 05, 2021
  a1d38afb
- remove print · 82276923
  Nathan Frey authored Mar 05, 2021
  
  82276923
- Merge pull request #2424 from peastman/tf24 · 1af20372
  Peter Eastman authored Mar 04, 2021
  1af20372
- Upgrade to TensorFlow 2.4 · 0e930c3f
  Peter Eastman authored Mar 04, 2021
  
  0e930c3f
- voxelization bug fix · 354c7dfb
  Nathan Frey authored Mar 04, 2021
  
  354c7dfb
- Merge pull request #2418 from ncfrey/rdkitgf-reorganize · c6d1fb01
  Nathan Frey authored Mar 04, 2021
  c6d1fb01
Mar 04, 2021
- yapf format · b474155c
  yurievnamaria authored Mar 04, 2021
  
  b474155c
- yapf formatting · b6f83612
  yurievnamaria authored Mar 04, 2021
  
  b6f83612
Mar 03, 2021
- flake fixes · 6c3aa918
  Nathan Frey authored Mar 03, 2021
  
  6c3aa918
- Merge pull request #2419 from ncfrey/pdbbind-loader-fix · f69c53d2
  Nathan Frey authored Mar 03, 2021
  f69c53d2
- typo fix · 29a51bc6
  yurievnamaria authored Mar 03, 2021
  
  29a51bc6
- formatting · 4be29504
  Nathan Frey authored Mar 02, 2021
  
  4be29504
Mar 02, 2021
- Merge pull request #2405 from VIGNESHinZONE/lcnn · 6c70881d
  Bharath Ramsundar authored Mar 01, 2021
  6c70881d
- add core and pocket options · 582cb4c0
  Nathan Frey authored Mar 01, 2021
  
  582cb4c0
Mar 01, 2021
- Reorganize rdkitgridfeaturizer module · b67b1341
  Nathan Frey authored Mar 01, 2021
  
  b67b1341
Feb 27, 2021
- Removing an unwanted function · 20859008
  VIGNESHinZONE authored Feb 27, 2021
  
  20859008
- Merge pull request #2415 from nd-02110114/hotfix-rdkit-import-errors · 82a9917e
  Bharath Ramsundar authored Feb 26, 2021
  82a9917e
Feb 26, 2021
- fix: 🐛 hotfix for rdkit import error · c8d819c5
  nd-02110114 authored Feb 26, 2021
  
  c8d819c5
- Merge branch 'master' into lcnn · 34436fc0
  VIGNESHinZONE authored Feb 26, 2021
  
  34436fc0
- Merge pull request #2412 from ncfrey/atomic-conv-model-fix · 3e8c37fe
  Nathan Frey authored Feb 25, 2021
  3e8c37fe
- remove print statements and old code · a905db1b
  Nathan Frey authored Feb 25, 2021
  
  a905db1b
Feb 25, 2021
- typo fix · 713215d9
  yurievnamaria authored Feb 25, 2021
  
  713215d9
- Added example and corrected description for ConvMolFeaturizer(), fixed... · 57c45b81
  yurievnamaria authored Feb 25, 2021
  57c45b81
- Merge pull request #2386 from MiloszGrabski/molgan_layers · 187919f2
  Bharath Ramsundar authored Feb 25, 2021
  187919f2
Feb 24, 2021
- fix atomicconv slow tests · bbdb7035
  Nathan Frey authored Feb 24, 2021
  
  bbdb7035
- fixed test · d09a41f4
  yurievnamaria authored Feb 24, 2021
  
  d09a41f4
- fix docs · 1ed1ff25
  yurievnamaria authored Feb 24, 2021
  
  1ed1ff25
- fixed docs · f0be6ac0
  yurievnamaria authored Feb 24, 2021
  
  f0be6ac0
- Merge pull request #2406 from ncfrey/atomicconvfix · 41d9c7f1
  Nathan Frey authored Feb 23, 2021
  41d9c7f1
- Merge pull request #2407 from peastman/tests · 6cf77a92
  Peter Eastman authored Feb 23, 2021
  6cf77a92
- formatting · 38e7a470
  Nathan Frey authored Feb 23, 2021
  
  38e7a470
- AtomicConvFeaturizer test fixes · 1fd3b05a
  Nathan Frey authored Feb 22, 2021
  
  1fd3b05a
- feat test fixes · 6e5ca359
  Nathan Frey authored Feb 18, 2021
  
  6e5ca359

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Commits · 90f983d47ba4f799d64fbc2bb3e11ae350ed46e8