Commits · 3ca99af3e72e591767d1288d29493e4ffb5b6ad9 · 钟慕尧 / deepchem · GitLab

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Apr 08, 2021
- add img_size parameter to ChemCeption model · 3ca99af3
  Pascal authored Apr 08, 2021
  
  3ca99af3
- Merge pull request #1 from deepchem/master · e422b9b8
  Pascal authored Apr 08, 2021
  e422b9b8
Apr 07, 2021
- Merge pull request #2442 from PascalIversen/master · ab5fa059
  Bharath Ramsundar authored Apr 06, 2021
  ab5fa059
- Merge pull request #2462 from mufeili/fix_molnet · 3b892827
  Bharath Ramsundar authored Apr 06, 2021
  3b892827
- Merge pull request #2446 from NinadBhat/issue_2067_sdf_loader_zip_files · 374cec58
  Bharath Ramsundar authored Apr 06, 2021
  374cec58
Apr 06, 2021
- Run all tests even if some fail (#2461) · a834e726
  Peter Eastman authored Apr 06, 2021
  a834e726
- Merge pull request #2458 from alat-rights/onehot · e613643b
  Bharath Ramsundar authored Apr 05, 2021
  e613643b
Apr 03, 2021
- Merge pull request #2463 from peastman/pearson · 361207f8
  Peter Eastman authored Apr 02, 2021
  361207f8
- Remove trailing whitespace in comments, flake8. · 198233c2
  alat-rights authored Apr 03, 2021
  
  198233c2
- Further clarification on the comment · 820574c4
  alat-rights authored Apr 03, 2021
  
  820574c4
- Modified comment on one_hot according to Peter's suggestion · 86e19cbc
  alat-rights authored Apr 03, 2021
  
  86e19cbc
- Slight edit to unit tests for clarity · 5943f0ab
  alat-rights authored Apr 03, 2021
  
  5943f0ab
- Fixed typo, 'smile' -> 'SMILES' · 947e2b69
  alat-rights authored Apr 03, 2021
  
  947e2b69
- Merge pull request #2445 from seyonechithrananda/chemberta-tutorial · a3c3874c
  Bharath Ramsundar authored Apr 02, 2021
  a3c3874c
Apr 02, 2021
- Changed parent class to Featurizer · 5f649d9f
  alat-rights authored Apr 02, 2021
  
  5f649d9f
- Fixed docstring · 80ba9072
  Peter Eastman authored Apr 01, 2021
  
  80ba9072
- Fixed error in computing Pearson correlation coefficient · 0f972098
  Peter Eastman authored Apr 01, 2021
  
  0f972098
- Update clearance_datasets.py · 2ff85193
  Mufei Li authored Apr 02, 2021
  
  2ff85193
- Update hppb_datasets.py · b9c1fb38
  Mufei Li authored Apr 02, 2021
  
  b9c1fb38
- Merge pull request #5 from deepchem/master · 6aad136f
  Mufei Li authored Apr 02, 2021
  6aad136f
Apr 01, 2021
- Fixed stylistic problems suggested by Bharath · 285bc538
  alat-rights authored Apr 01, 2021
  
  285bc538
- Documentation change · 22933d68
  alat-rights authored Apr 01, 2021
  
  22933d68
- Minor bug fix · 77695d5f
  alat-rights authored Apr 01, 2021
  
  77695d5f
- Reintroduced method for backwards compatibility · 66389eca
  alat-rights authored Apr 01, 2021
  
  66389eca
- Completed one more test case for correct transformation, passing · 2de60188
  alat-rights authored Apr 01, 2021
  
  2de60188
- Merge branch 'onehot' of https://github.com/alat-rights/deepchem into onehot · cf12dbca
  alat-rights authored Apr 01, 2021
  
  cf12dbca
- Minor formatting changes · 45009705
  alat-rights authored Apr 01, 2021
  
  45009705
- Minor formatting changes · 65a047ab
  alat-rights authored Apr 01, 2021
  
  65a047ab
- Bug fix for test cases on arbitrary strings, now passing. · 204bab59
  alat-rights authored Apr 01, 2021
  
  204bab59
Mar 31, 2021
- Updates listed in the PR. Also, bug fixes. · d214cfe3
  alat-rights authored Mar 31, 2021
  
  d214cfe3
Mar 30, 2021
- Removed a comment · 489eb3ea
  alat-rights authored Mar 30, 2021
  
  489eb3ea
- Removed whitespace in blank line · 11119995
  alat-rights authored Mar 30, 2021
  
  11119995
- Delete test_rnn.py · ee0040ba
  alat-rights authored Mar 30, 2021
  ee0040ba
- Delete rnn.py · 269f1bad
  alat-rights authored Mar 30, 2021
  269f1bad
Mar 29, 2021
- Changed one hot to be subclass of Featurizer · 05c9001f
  alat-rights authored Mar 29, 2021
  
  05c9001f
- First commit: new unit tests, modified one_hot_featurizer to handle arbitrary strings · 921f06dc
  alat-rights authored Mar 29, 2021
  921f06dc
Mar 24, 2021
- Merge pull request #2450 from ncfrey/atomicconv-save · 9664aeab
  Nathan Frey authored Mar 23, 2021
  9664aeab
- add save reload to atomicconv · e3d2c752
  Nathan Frey authored Mar 23, 2021
  
  e3d2c752
Mar 23, 2021
- Merge pull request #2435 from Suzukazole/Tut1 · 5061825a
  Bharath Ramsundar authored Mar 22, 2021
  5061825a
- Merge pull request #2447 from deepchem/bump · 9da32382
  Bharath Ramsundar authored Mar 22, 2021
  9da32382

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