Commits · cebab4c2d70d80ecefc84cef76c8a24c92e18eaf · 钟慕尧 / deepchem

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Jan 11, 2021
- Revert "formatting" · cebab4c2
  yurievnamaria authored Jan 11, 2021
  cebab4c2
- Revert "update in tutorial, formatting data_loader" · a2ec1041
  yurievnamaria authored Jan 11, 2021
  a2ec1041
- Revert "format deepchem/data/data_loader.py" · ab11c957
  yurievnamaria authored Jan 11, 2021
  ab11c957
Jan 09, 2021
- format deepchem/data/data_loader.py · 850beb45
  yurievnamaria authored Jan 09, 2021
  
  850beb45
- update in tutorial, formatting data_loader · 25b25562
  yurievnamaria authored Jan 09, 2021
  
  25b25562
Jan 08, 2021
- formatting · 95b89df1
  yurievnamaria authored Jan 08, 2021
  
  95b89df1
- formatting · fb0ad966
  yurievnamaria authored Jan 08, 2021
  
  fb0ad966
- formatting · 67e5b0a1
  yurievnamaria authored Jan 08, 2021
  
  67e5b0a1
- Added model interpretation functionality: ability to calculate contributions... · 16eb424b
  yurievnamaria authored Jan 08, 2021
  16eb424b
Dec 30, 2020
- Fixed data dir for tmp dataset · 3e5f03f4
  yurievnamaria authored Dec 30, 2020
  
  3e5f03f4
- Added test for classif. GraphConvModel to be able to predict dataset without Y (task) · 72ba3cf2
  yurievnamaria authored Dec 30, 2020
  
  72ba3cf2
Dec 29, 2020
- reformatted by yapf 22.0 · 390377fb
  yurievnamaria authored Dec 29, 2020
  
  390377fb
Dec 28, 2020
- yapf formatting · 7acf48f8
  yurievnamaria authored Dec 28, 2020
  
  7acf48f8
- Bug fix: previously, when using classification GraphConvModel for prospective data prediction · 7d5b1279
  yurievnamaria authored Dec 28, 2020
  7d5b1279
Dec 20, 2020
- Merge pull request #2294 from nd-02110114/migrate-github-actions · 8ba35f6a
  Daiki Nishikawa authored Dec 20, 2020
  8ba35f6a
Dec 18, 2020
- Merge branch 'master' into migrate-github-actions · 0d943d7c
  nd-02110114 authored Dec 18, 2020
  
  0d943d7c
- Merge pull request #2325 from peastman/fingerprint · e57fa410
  peastman authored Dec 17, 2020
  e57fa410
- Merge pull request #2326 from ncfrey/pdbbind-loader · b804376c
  Nathan Frey authored Dec 17, 2020
  b804376c
- Update run_benchmark.py · 35a22e15
  Nathan Frey authored Dec 17, 2020
  
  35a22e15
- docstring fix · 2b86bbb7
  Nathan Frey authored Dec 17, 2020
  
  2b86bbb7
Dec 16, 2020
- formatting · d7950973
  Nathan Frey authored Dec 15, 2020
  
  d7950973
- New PDBBind loader · 3385ba8f
  Nathan Frey authored Dec 15, 2020
  
  3385ba8f
- Merge pull request #2318 from ncfrey/complex-featurizer-fix · f49416be
  Nathan Frey authored Dec 15, 2020
  f49416be
Dec 15, 2020
- Merge pull request #2322 from nd-02110114/add-pr-tempplate · e20aa6d1
  Daiki Nishikawa authored Dec 15, 2020
  e20aa6d1
- 📝 fix bug · 5de2c6c6
  nd-02110114 authored Dec 15, 2020
  
  5de2c6c6
- Merge pull request #2321 from nd-02110114/add-issue-template · 646cfea8
  Daiki Nishikawa authored Dec 15, 2020
  646cfea8
- Fixed mypy error · bd9012ec
  peastman authored Dec 14, 2020
  
  bd9012ec
- Created FingerprintSplitter · 32add606
  peastman authored Dec 14, 2020
  
  32add606
- flake8 fixes · 3df372ba
  Nathan Frey authored Dec 14, 2020
  
  3df372ba
- Merge pull request #2319 from HFooladi/patch1 · 46f62b57
  Bharath Ramsundar authored Dec 14, 2020
  46f62b57
Dec 14, 2020
- Test fixes · 90ede031
  Nathan Frey authored Dec 14, 2020
  
  90ede031
- 🐛 fix build bug · d4a21f0a
  nd-02110114 authored Dec 14, 2020
  
  d4a21f0a
- 🐛 fix build · 9a4f7e26
  nd-02110114 authored Dec 14, 2020
  
  9a4f7e26
Dec 13, 2020
- 🐛 fix doctest bug · 56ec7bb5
  nd-02110114 authored Dec 14, 2020
  
  56ec7bb5
- 💚 fix ci · 1a6886ca
  nd-02110114 authored Dec 14, 2020
  
  1a6886ca
- ⏪ revert changes · 1af89aeb
  nd-02110114 authored Dec 13, 2020
  
  1af89aeb
- Merge branch 'master' into migrate-github-actions · 3438b954
  nd-02110114 authored Dec 13, 2020
  
  3438b954
- 🐛 fix small · ff8ce080
  nd-02110114 authored Dec 13, 2020
  
  ff8ce080
- 📝 fix docs · a62e8de9
  nd-02110114 authored Dec 13, 2020
  
  a62e8de9
- Revert "📝 update docs" · c50430c1
  nd-02110114 authored Dec 13, 2020
  c50430c1

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Commits · cebab4c2d70d80ecefc84cef76c8a24c92e18eaf