Commits · f69c53d2ae08372af355188d6fafa69ae22dc863 · 钟慕尧 / deepchem

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Mar 03, 2021
- Merge pull request #2419 from ncfrey/pdbbind-loader-fix · f69c53d2
  Nathan Frey authored Mar 03, 2021
  f69c53d2
Mar 02, 2021
- Merge pull request #2405 from VIGNESHinZONE/lcnn · 6c70881d
  Bharath Ramsundar authored Mar 01, 2021
  6c70881d
- add core and pocket options · 582cb4c0
  Nathan Frey authored Mar 01, 2021
  
  582cb4c0
Feb 27, 2021
- Removing an unwanted function · 20859008
  VIGNESHinZONE authored Feb 27, 2021
  
  20859008
- Merge pull request #2415 from nd-02110114/hotfix-rdkit-import-errors · 82a9917e
  Bharath Ramsundar authored Feb 26, 2021
  82a9917e
Feb 26, 2021
- fix: 🐛 hotfix for rdkit import error · c8d819c5
  nd-02110114 authored Feb 26, 2021
  
  c8d819c5
- Merge branch 'master' into lcnn · 34436fc0
  VIGNESHinZONE authored Feb 26, 2021
  
  34436fc0
- Merge pull request #2412 from ncfrey/atomic-conv-model-fix · 3e8c37fe
  Nathan Frey authored Feb 25, 2021
  3e8c37fe
- remove print statements and old code · a905db1b
  Nathan Frey authored Feb 25, 2021
  
  a905db1b
Feb 25, 2021
- Merge pull request #2386 from MiloszGrabski/molgan_layers · 187919f2
  Bharath Ramsundar authored Feb 25, 2021
  187919f2
Feb 24, 2021
- fix atomicconv slow tests · bbdb7035
  Nathan Frey authored Feb 24, 2021
  
  bbdb7035
- Merge pull request #2406 from ncfrey/atomicconvfix · 41d9c7f1
  Nathan Frey authored Feb 23, 2021
  41d9c7f1
- Merge pull request #2407 from peastman/tests · 6cf77a92
  Peter Eastman authored Feb 23, 2021
  6cf77a92
- formatting · 38e7a470
  Nathan Frey authored Feb 23, 2021
  
  38e7a470
- AtomicConvFeaturizer test fixes · 1fd3b05a
  Nathan Frey authored Feb 22, 2021
  
  1fd3b05a
- feat test fixes · 6e5ca359
  Nathan Frey authored Feb 18, 2021
  
  6e5ca359
- Testing AtomicConvFeaturizer · 7d7f7a70
  Bharath Ramsundar authored Feb 01, 2021
  
  7d7f7a70
- Cleaning up atomic conv some more · 386aa785
  Bharath Ramsundar authored Jan 27, 2021
  
  386aa785
- First cut at atomic conv fix · 1e810c94
  Bharath Ramsundar authored Jan 26, 2021
  
  1e810c94
- Merge pull request #2409 from ncfrey/psc-version-fix · 8f688953
  Nathan Frey authored Feb 23, 2021
  8f688953
Feb 23, 2021
- trying version fix · 4cc6aea6
  Nathan Frey authored Feb 23, 2021
  
  4cc6aea6
- Removing unwanted docs · 8be14549
  VIGNESHinZONE authored Feb 23, 2021
  
  8be14549
- Adding Examples for LCNNBlock, LCNN, LCNNModel and test functions · 3ea6281b
  VIGNESHinZONE authored Feb 23, 2021
  
  3ea6281b
- Fixes to test cases · 9d622498
  Peter Eastman authored Feb 22, 2021
  
  9d622498
Feb 21, 2021
- Adding the LCNN Model · dd70ef0c
  VIGNESHinZONE authored Feb 21, 2021
  
  dd70ef0c
Feb 20, 2021
- Merge pull request #2402 from peastman/dtype · 458b2911
  Bharath Ramsundar authored Feb 19, 2021
  458b2911
Feb 19, 2021
- Merge pull request #2287 from VIGNESHinZONE/lcnn-dataset · b9dc469e
  Bharath Ramsundar authored Feb 18, 2021
  b9dc469e
Feb 18, 2021
- Do not force dtypes to be 'object' · 048a4848
  peastman authored Feb 17, 2021
  
  048a4848
Feb 16, 2021
- Update molgan_featurizer.py · 500a4e0b
  Milosz Grabski authored Feb 16, 2021
  
  500a4e0b
- Update test_molgan_layers.py · 84e9ac9d
  Milosz Grabski authored Feb 16, 2021
  
  84e9ac9d
- flake8 and yapf clean · a0b09909
  Milosz Grabski authored Feb 16, 2021
  
  a0b09909
- yapf rerun · 7b584390
  Milosz Grabski authored Feb 14, 2021
  
  7b584390
- classes name change · 3c81a59c
  Milosz Grabski authored Feb 08, 2021
  3c81a59c
- MultiGraphConvolution example · 683a916b
  Milosz Grabski authored Feb 07, 2021
  
  683a916b
- GraphAggregation example · 4b2fa7ce
  Milosz Grabski authored Feb 07, 2021
  
  4b2fa7ce
- GraphConvolution example · 05630d10
  Milosz Grabski authored Feb 07, 2021
  
  05630d10
- Encoder example added · 42c4c28b
  Milosz Grabski authored Feb 07, 2021
  
  42c4c28b
- Update molgan_featurizer.py · 1280bd3f
  Milosz Grabski authored Feb 06, 2021
  
  1280bd3f
- partial mypy fix · 05f3d083
  Milosz Grabski authored Feb 06, 2021
  
  05f3d083
- unittest/cleanup · f207e8ca
  Milosz Grabski authored Feb 05, 2021
  f207e8ca

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Commits · f69c53d2ae08372af355188d6fafa69ae22dc863