Commits · 1d76035933bafc6890d04f5543a55f4415ea098a · 钟慕尧 / deepchem

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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
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
- Merge pull request #2370 from cjgalvin/hyperopt_nb_epochs · dc205532
  Bharath Ramsundar authored Jan 26, 2021
  dc205532
Jan 26, 2021
- 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 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
Jan 19, 2021
- Update 13_Modeling_Protein_Ligand_Interactions.ipynb · b98cac8b
  Nathan Frey authored Jan 19, 2021
  
  b98cac8b
- 📝 fix docs · 5aab9564
  nd-02110114 authored Jan 19, 2021
  
  5aab9564
- 🐛 fix docs · 7a8eae18
  nd-02110114 authored Jan 19, 2021
  
  7a8eae18
- Merge branch 'master' into update-feat-docs · 8a36634e
  nd-02110114 authored Jan 19, 2021
  
  8a36634e
- Merge pull request #2340 from MariBerry/master · 6860317d
  Bharath Ramsundar authored Jan 18, 2021
  6860317d
- Merge pull request #2360 from nd-02110114/fix-docker-setting · 144ae446
  Bharath Ramsundar authored Jan 18, 2021
  144ae446
Jan 16, 2021
- 🐛 fix automate release process · e8b8daf4
  nd-02110114 authored Jan 16, 2021
  
  e8b8daf4
- Merge pull request #2358 from nd-02110114/update-readme · 37ed5787
  Bharath Ramsundar authored Jan 15, 2021
  37ed5787
Jan 15, 2021
- ✨ set the next version · 398f5637
  nd-02110114 authored Jan 15, 2021
  
  398f5637
- 🔖 update dev version · 337da0a6
  nd-02110114 authored Jan 15, 2021
  
  337da0a6
- Merge branch 'master' into update-readme · 83a41c4f
  nd-02110114 authored Jan 15, 2021
  
  83a41c4f
- 📝 update readme · df73e22b
  nd-02110114 authored Jan 15, 2021
  
  df73e22b
- Created AtomicConformationFeaturizer · 328f1182
  peastman authored Jan 14, 2021
  
  328f1182
Jan 14, 2021
- Merge pull request #2352 from deepchem/release240 · c9b102f8
  Bharath Ramsundar authored Jan 13, 2021
  View commits for tag 2.4.0 2.4.0
  
  c9b102f8

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Commits · 1d76035933bafc6890d04f5543a55f4415ea098a