Commits · a53bd1b30033c77cd89dfbeacae1b0d8ab5c6e9b · 钟慕尧 / deepchem

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Feb 02, 2021
- fixing merge conflicts · a53bd1b3
  VIGNESHinZONE authored Feb 02, 2021
  
  a53bd1b3
Feb 01, 2021
- Merge pull request #2377 from alat-rights/knownIssues · e6cba8ce
  Bharath Ramsundar authored Jan 31, 2021
  e6cba8ce
- Merge pull request #2371 from MiloszGrabski/molgan-featurizer · b5f7242d
  Bharath Ramsundar authored Jan 31, 2021
  b5f7242d
Jan 30, 2021
- docstrings cleanup · 65d29d65
  Milosz Grabski authored Jan 30, 2021
  
  65d29d65
- Formatting fix · 95e906d3
  alat-rights authored Jan 30, 2021
  
  95e906d3
- Added known issues page · 15fd56db
  alat-rights authored Jan 30, 2021
  
  15fd56db
- unittest/docstrings corrections · b558d6e4
  Milosz Grabski authored Jan 29, 2021
  
  b558d6e4
Jan 29, 2021
- Merge pull request #2364 from ncfrey/complex-tutorial · 1d760359
  Nathan Frey authored Jan 29, 2021
  1d760359
- Delete rdkit error msg · 1cdb47f0
  Nathan Frey authored Jan 28, 2021
  
  1cdb47f0
- Update 13_Modeling_Protein_Ligand_Interactions.ipynb · ac90f760
  Nathan Frey authored Jan 28, 2021
  
  ac90f760
- unit tests · 991c987e
  Milosz Grabski authored Jan 28, 2021
  
  991c987e
Jan 28, 2021
- Merge pull request #2356 from peastman/atomic · 6ad808d6
  Peter Eastman authored Jan 27, 2021
  6ad808d6
- Check partial charges for PDB file · 2052146c
  peastman authored Jan 27, 2021
  
  2052146c
- Switched to a different PDB file · d35e3713
  peastman authored Jan 27, 2021
  
  d35e3713
Jan 27, 2021
- unit testing · 41575193
  Milosz Grabski authored Jan 27, 2021
  
  41575193
- Merge pull request #2370 from cjgalvin/hyperopt_nb_epochs · dc205532
  Bharath Ramsundar authored Jan 26, 2021
  dc205532
Jan 26, 2021
- graph matrix unit test · d1a57904
  Milosz Grabski authored Jan 26, 2021
  
  d1a57904
- code clean-up · a2ff1589
  Milosz Grabski authored Jan 26, 2021
  
  a2ff1589
- spelling error corrected · d4c43fa0
  Milosz Grabski authored Jan 26, 2021
  
  d4c43fa0
- Code clean-up · 74c238a7
  Milosz Grabski authored Jan 26, 2021
  
  74c238a7
- yapf added extra space · 5e789f3d
  casey authored Jan 25, 2021
  
  5e789f3d
- ウpだて · e3f14068
  casey authored Jan 25, 2021
  
  e3f14068
- Ignore mypy error · 5aa787ae
  casey authored Jan 25, 2021
  
  5aa787ae
- Update 13_Modeling_Protein_Ligand_Interactions.ipynb · b0361b00
  Nathan Frey authored Jan 25, 2021
  
  b0361b00
- Change default nb_epoch to 10 · ee54de7b
  casey authored Jan 25, 2021
  
  ee54de7b
Jan 25, 2021
- Added MolGAN featurizer · 63a1a829
  Milosz Grabski authored Jan 25, 2021
  
  63a1a829
Jan 24, 2021
- Trim trailing white space · 1d529aac
  casey authored Jan 23, 2021
  
  1d529aac
- Cleaning up comments · bb85ebd7
  casey authored Jan 23, 2021
  
  bb85ebd7
- Edited doc string · f4e52048
  casey authored Jan 23, 2021
  
  f4e52048
- Edited docstrings · 082cd87b
  casey authored Jan 23, 2021
  
  082cd87b
- Blank line at end of file · d4478744
  casey authored Jan 23, 2021
  
  d4478744
- blank line at end of file again · 04f0cd95
  casey authored Jan 23, 2021
  
  04f0cd95
- blank of end of line · 2bf2e16b
  casey authored Jan 23, 2021
  
  2bf2e16b
- Added nb_epoch unittest · 643b4b70
  casey authored Jan 23, 2021
  
  643b4b70
- Added try except for model.fit() · 7219f7df
  casey authored Jan 23, 2021
  
  7219f7df
- Edited nb_epoch doc string · 277192f4
  casey authored Jan 23, 2021
  
  277192f4
- Added nb_epochs to grid_search · abf79c1c
  casey authored Jan 23, 2021
  
  abf79c1c
Jan 23, 2021
- Added nb_epoch function string · 0f7332a9
  casey authored Jan 22, 2021
  
  0f7332a9
- Add nb_epoch to PyGPGO · 8ab94f29
  casey authored Jan 22, 2021
  
  8ab94f29
Jan 20, 2021
- Merge pull request #2342 from nd-02110114/update-feat-docs · 64993a12
  Daiki Nishikawa authored Jan 20, 2021
  64993a12

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Commits · a53bd1b30033c77cd89dfbeacae1b0d8ab5c6e9b