Commits · 6669b52325f63dba3bb09997590cfc8a580783eb · 钟慕尧 / deepchem

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Sep 26, 2017
- Add additional types and constraints · 6669b523
  Yutong Zhao authored Sep 25, 2017
  
  6669b523
Sep 22, 2017
- Change to central finite difference · 0566d2c9
  Yutong Zhao authored Sep 21, 2017
  
  0566d2c9
- Add unittest for gradient and ANIRegression · 8623479b
  Yutong Zhao authored Sep 21, 2017
  
  8623479b
Sep 16, 2017
- remove dill import · 46602deb
  Yutong Zhao authored Sep 15, 2017
  
  46602deb
- Add support for model saving/loading · 20f2022d
  Yutong Zhao authored Sep 15, 2017
  
  20f2022d
Sep 15, 2017
- Roitberg · 6fbe8494
  Yutong Zhao authored Sep 15, 2017
  
  6fbe8494
Sep 12, 2017
- Merge pull request #833 from miguelroboso/fixed_padded_predict · 65d2b7c5
  Bharath Ramsundar authored Sep 11, 2017
  65d2b7c5
- yapfed models/tensorgraph/models/graph_models.py · 3c605f15
  michele donato authored Sep 11, 2017
  
  3c605f15
- fixes batch padding in predict: pad_batches was always "True", now it follows... · e313c5bd
  michele donato authored Sep 11, 2017
  e313c5bd
Sep 09, 2017
- Merge pull request #829 from kmckiern/dataset_prep_tutorial · 908a0919
  Bharath Ramsundar authored Sep 08, 2017
  908a0919
- tweaked text - fixed typos, changed deepchem to DeepChem, added author credit · 5484e77f
  kmckiern authored Sep 08, 2017
  
  5484e77f
- yapf-ed · e9725200
  kmckiern authored Sep 08, 2017
  
  e9725200
Sep 08, 2017
- correct number of blank lines · 35135799
  Keri A. McKiernan authored Sep 08, 2017
  
  35135799
- for automatic installation of dependencies · 74ef2fcf
  kmckiern authored Sep 07, 2017
  
  74ef2fcf
- dependencies for dataset_preparation tutorial · 5dde9089
  kmckiern authored Sep 07, 2017
  
  5dde9089
- add dataset_preparation notebook test · bc071b3c
  kmckiern authored Sep 07, 2017
  
  bc071b3c
- fix file paths · 7339d171
  kmckiern authored Sep 07, 2017
  
  7339d171
- supplementary file for dataset_preparation tutorial · 62bb4e9f
  kmckiern authored Sep 07, 2017
  
  62bb4e9f
- for rendering the notebook on the website · d39bb03c
  kmckiern authored Sep 07, 2017
  
  d39bb03c
- add example experimental dataset · eee948ff
  kmckiern authored Sep 07, 2017
  
  eee948ff
- Tutorial detailing the creation of a deepchem dataset from novel data · 4faa801b
  kmckiern authored Sep 07, 2017
  
  4faa801b
Sep 06, 2017
- Merge pull request #823 from lilleswing/save-ani1 · 7dec6843
  Bharath Ramsundar authored Sep 06, 2017
  7dec6843
- yapf · 7b056ed6
  leswing authored Sep 06, 2017
  
  7b056ed6
- master merge · 877d95f1
  leswing authored Sep 06, 2017
  
  877d95f1
- Merge pull request #826 from peastman/operators · 89a3ef4e
  Bharath Ramsundar authored Sep 05, 2017
  89a3ef4e
- Merge pull request #824 from lilleswing/MaxPool2D · d1e9575a
  Bharath Ramsundar authored Sep 05, 2017
  d1e9575a
- Layers support math operators · 5afbd715
  peastman authored Sep 05, 2017
  
  5afbd715
- absolute imports · 43e32ed9
  leswing authored Sep 05, 2017
  
  43e32ed9
- Fix import · 545ba8bc
  leswing authored Sep 05, 2017
  
  545ba8bc
- Master Merge · 241ec0be
  leswing authored Sep 05, 2017
  
  241ec0be
- merge master · 41b60092
  leswing authored Sep 05, 2017
  
  41b60092
- Merge pull request #822 from marta-sd/conv3d · 67f76300
  Bharath Ramsundar authored Sep 05, 2017
  67f76300
- MaxPool2D · 07a6c865
  leswing authored Sep 05, 2017
  
  07a6c865
- absolute import · 0fbe675d
  leswing authored Sep 05, 2017
  
  0fbe675d
- reset qm7_ani · 9bb4585e
  leswing authored Sep 05, 2017
  
  9bb4585e
- yapf · bf46f18f
  leswing authored Sep 05, 2017
  
  bf46f18f
- reset qm7_ani · 152460eb
  leswing authored Sep 05, 2017
  
  152460eb
- Save and load ani · 81d1047a
  leswing authored Sep 05, 2017
  
  81d1047a
- Test · dfdf3afc
  leswing authored Sep 05, 2017
  
  dfdf3afc
Sep 05, 2017
- tests for Conv3D and MaxPool3D · b6ced203
  marta-sd authored Sep 05, 2017
  
  b6ced203

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Commits · 6669b52325f63dba3bb09997590cfc8a580783eb