Commits · 718791ecbd0f1aa780f978b790f6aa33b91ac010 · 钟慕尧 / deepchem

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Jul 24, 2021
- Merge branch 'deepchem:master' into rxntransformer · 718791ec
  Ashwin Murali authored Jul 24, 2021
  
  718791ec
Jul 23, 2021
- Merge pull request #2607 from atreyamaj/fixerr · 906613b7
  Bharath Ramsundar authored Jul 22, 2021
  906613b7
- Merge pull request #2592 from arunppsg/contributing · eb7ac282
  Bharath Ramsundar authored Jul 22, 2021
  eb7ac282
- Merge pull request #2610 from atreyamaj/fix_scalenorm · ab99ef1b
  Bharath Ramsundar authored Jul 22, 2021
  ab99ef1b
Jul 22, 2021
- Formatting Fix · 1b6a4feb
  Atreya Majumdar authored Jul 22, 2021
  
  1b6a4feb
- Same in data_loader.py · df434a4c
  Atreya Majumdar authored Jul 17, 2021
  
  df434a4c
- Changed return type to np.ndarray in read_gnina_log · f62748b8
  Atreya Majumdar authored Jul 17, 2021
  
  f62748b8
- changes to DL framework installation (amended) [skip ci] · be5be156
  Arun authored Jul 14, 2021
  
  be5be156
- Changed test decorator · 1398ae7d
  Atreya Majumdar authored Jul 22, 2021
  
  1398ae7d
- Changed Docstring · fbc8b4c1
  Atreya Majumdar authored Jul 21, 2021
  
  fbc8b4c1
- test fix for scalenorm · f925df0f
  Atreya Majumdar authored Jul 21, 2021
  
  f925df0f
- Merge pull request #2601 from atreyamaj/firstlayer · 86042a06
  Bharath Ramsundar authored Jul 21, 2021
  86042a06
Jul 20, 2021
- WandbLogger fixes: removed finish() from Model fit(), ValidationCallbacks fixes (#2586) · b26a6014
  Kevin Shen authored Jul 19, 2021
  b26a6014
- Format · 3324817a
  Atreya Majumdar authored Jul 20, 2021
  
  3324817a
- Edited layer usage explanation · d928b586
  Atreya Majumdar authored Jul 20, 2021
  
  d928b586
Jul 19, 2021
- Merge branch 'deepchem:master' into rxntransformer · 628ddfc9
  Ashwin Murali authored Jul 19, 2021
  
  628ddfc9
- add example · 84574e21
  Suzukazole authored Jul 18, 2021
  
  84574e21
- more docs and lint · 69773a6b
  Suzukazole authored Jul 18, 2021
  
  69773a6b
- update docs · 7da392a6
  Suzukazole authored Jul 18, 2021
  
  7da392a6
Jul 17, 2021
- flake//yapf · 41c8989f
  Suzukazole authored Jul 17, 2021
  
  41c8989f
- add shape test · ea70f884
  Suzukazole authored Jul 17, 2021
  
  ea70f884
- Updated Docs · 04634cad
  Atreya Majumdar authored Jul 17, 2021
  
  04634cad
- Changed LayerNorm to ScaleNorm · 48348574
  Atreya Majumdar authored Jul 16, 2021
  
  48348574
- Removed extra test line,added formatting, doc-change · 0cbdeb46
  Atreya Majumdar authored Jul 15, 2021
  
  0cbdeb46
- Added LayerNorm to docs · 716d5299
  Atreya Majumdar authored Jul 15, 2021
  
  716d5299
- flake8 · 2865bec7
  Atreya Majumdar authored Jul 15, 2021
  
  2865bec7
- Formatting · 1d6e7864
  Atreya Majumdar authored Jul 15, 2021
  
  1d6e7864
- Test LayerNorm · 400fc446
  Atreya Majumdar authored Jul 15, 2021
  
  400fc446
- LayerNorm · c7f6ba4a
  Atreya Majumdar authored Jul 15, 2021
  
  c7f6ba4a
- Edited layers file · 16a830dc
  Atreya Majumdar authored Jul 15, 2021
  
  16a830dc
- Reinstated layers file · 1503867d
  Atreya Majumdar authored Jul 15, 2021
  
  1503867d
- init tests · 1705fcb1
  Suzukazole authored Jul 17, 2021
  
  1705fcb1
- Fixed errors caused by new Pandas version (#2605) · 1a2d2e9f
  Peter Eastman authored Jul 16, 2021
  
  1a2d2e9f
- Merge pull request #2599 from atreyamaj/matfdocs · 1afa9b64
  Bharath Ramsundar authored Jul 16, 2021
  1afa9b64
Jul 16, 2021
- add reagent sep toggle · 971eee59
  Suzukazole authored Jul 16, 2021
  
  971eee59
- fix logic · c543df08
  Suzukazole authored Jul 16, 2021
  
  c543df08
- add reagent mixing · 18c15976
  Suzukazole authored Jul 16, 2021
  
  18c15976
- update docs · 19e79746
  Suzukazole authored Jul 16, 2021
  
  19e79746
Jul 15, 2021
- Added MATFeaturizer to website · 9477735c
  Atreya Majumdar authored Jul 15, 2021
  
  9477735c
- Improved handling of classification_handling_mode in Metric (#2595) · f3ba82cd
  Peter Eastman authored Jul 14, 2021
  
  f3ba82cd

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Commits · 718791ecbd0f1aa780f978b790f6aa33b91ac010