Commits · 31df3359b026bcdbec9e4dfeac57947a4753e746 · 钟慕尧 / deepchem

Browse files

Feb 05, 2021
- Pin numpy to 1.19 · 31df3359
  peastman authored Feb 04, 2021
  
  31df3359
- Fixed lots of mypy errors with numpy 1.20 · 203e8f7e
  peastman authored Feb 04, 2021
  
  203e8f7e
Feb 04, 2021
- Fixed CI errors · 713d99b7
  peastman authored Feb 03, 2021
  
  713d99b7
Feb 03, 2021
- Merge pull request #2302 from seyonechithrananda/chemberta-tutorial · 3e825e0d
  Bharath Ramsundar authored Feb 02, 2021
  3e825e0d
Feb 02, 2021
- rename tutorials based on order · 5b00db28
  seyonechithrananda authored Feb 01, 2021
  
  5b00db28
- Merge branch 'master' of https://github.com/deepchem/deepchem into chemberta-tutorial · 94dc14c5
  seyonechithrananda authored Feb 01, 2021
  
  94dc14c5
- fix · a3566861
  seyonechithrananda authored Feb 01, 2021
  
  a3566861
- clear output for install cells · 6b38c616
  Seyone Chithrananda authored Feb 01, 2021
  
  6b38c616
- add in new tutorial · 302958c0
  seyonechithrananda authored Feb 01, 2021
  
  302958c0
- merging two tutorials + fixes · 6f7c9200
  Seyone Chithrananda authored Feb 01, 2021
  
  6f7c9200
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

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Commits · 31df3359b026bcdbec9e4dfeac57947a4753e746