Commits · 09decde6b8049dcefa25b6325d6ec43f0883e278 · 钟慕尧 / deepchem

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Mar 16, 2017
- fix for failure · 09decde6
  miaecle authored Mar 15, 2017
  
  09decde6
- style change · c6f381a5
  miaecle authored Mar 15, 2017
  
  c6f381a5
- unit test for DTNN · e971ccb2
  miaecle authored Mar 15, 2017
  
  e971ccb2
- recover changes · 2e4b0eee
  miaecle authored Mar 15, 2017
  
  2e4b0eee
- example codes change · cdee28d1
  miaecle authored Mar 15, 2017
  
  cdee28d1
- refining model · 6808c495
  miaecle authored Mar 15, 2017
  
  6808c495
- add in to molnet · 6be5b3a5
  miaecle authored Mar 15, 2017
  
  6be5b3a5
Mar 15, 2017
- multitask DTNN · 83f11a11
  miaecle authored Mar 15, 2017
  
  83f11a11
- recover breaking changes · 13d859ec
  miaecle authored Mar 14, 2017
  
  13d859ec
- Merge remote-tracking branch 'remotes/origin/master' into DTNN · 83ddf864
  miaecle authored Mar 14, 2017
  
  83ddf864
- Merge pull request #464 from jchodera/docker · 29c68f45
  Bharath Ramsundar authored Mar 14, 2017
  29c68f45
- Install with 'develop' and don't run nosetests · a86b2e25
  jchodera authored Mar 14, 2017
  
  a86b2e25
- Install libxrender1 · 8ea6e2e2
  jchodera authored Mar 14, 2017
  
  8ea6e2e2
- Install dependencies into `root` conda environment · 2d7942b9
  jchodera authored Mar 14, 2017
  
  2d7942b9
- Install deepchem from git head instead. · 88abc656
  jchodera authored Mar 14, 2017
  
  88abc656
Mar 14, 2017
- Add Dockerfile · aa046d27
  John Chodera authored Mar 13, 2017
  
  aa046d27
- DTNN regressor · 9db006c3
  miaecle authored Mar 13, 2017
  
  9db006c3
- 'batch_to_feed_dict' · 99d5faaa
  unknown authored Mar 13, 2017
  
  99d5faaa
- DTNN build · 3fbd4a83
  miaecle authored Mar 13, 2017
  
  3fbd4a83
Mar 11, 2017
- Merge pull request #460 from lilleswing/441-no-babel-cr · 3bd2083a
  Bharath Ramsundar authored Mar 10, 2017
  3bd2083a
- Merge pull request #461 from peastman/checkpoint · f30dd679
  Bharath Ramsundar authored Mar 10, 2017
  f30dd679
- Trying to make yapf happy · ebc86176
  Peter Eastman authored Mar 10, 2017
  
  ebc86176
- Merge pull request #454 from miaecle/molnet · 8cf6fc06
  Bharath Ramsundar authored Mar 10, 2017
  8cf6fc06
- Added option for checkpoint interval · aa9dd8b4
  Peter Eastman authored Mar 10, 2017
  
  aa9dd8b4
Mar 10, 2017
- bug fixing · 770cca00
  miaecle authored Mar 09, 2017
  
  770cca00
- 441 No Babel: Remove All Open Babel Dependencies · 763f8721
  leswing authored Mar 09, 2017
  763f8721
- fix for failure · d09358f8
  miaecle authored Mar 09, 2017
  
  d09358f8
- Merge pull request #459 from peastman/pcba · cada73f0
  Bharath Ramsundar authored Mar 09, 2017
  cada73f0
- Fixed broken PCBA example · 64072689
  Peter Eastman authored Mar 09, 2017
  
  64072689
- fix style · a6ee1e5f
  miaecle authored Mar 09, 2017
  
  a6ee1e5f
- test modification · 9290c70e
  miaecle authored Mar 09, 2017
  
  9290c70e
- Merge pull request #452 from XericZephyr/readme_pdbfixer · 415aebad
  Bharath Ramsundar authored Mar 09, 2017
  415aebad
- style fixing · 5e3f001f
  miaecle authored Mar 09, 2017
  
  5e3f001f
- unit test for molnet · 2b8191d9
  miaecle authored Mar 09, 2017
  
  2b8191d9
- Change pdbfixer to conda install. · 95ec603c
  Zheng Xu authored Mar 09, 2017
  
  95ec603c
Mar 09, 2017
- n_features initialization · 2f83f641
  miaecle authored Mar 08, 2017
  
  2f83f641
- quick fix for dc->deepchem · ca8d89df
  miaecle authored Mar 08, 2017
  
  ca8d89df
- Update instruction index. · 3c4028cf
  Zheng Xu authored Mar 08, 2017
  
  3c4028cf
- Add openmm and pdbfixer installation instruction. · 64a5b367
  Zheng Xu authored Mar 08, 2017
  
  64a5b367
- Merge pull request #448 from ktaneishi/bt_gcv · c860937b
  Bharath Ramsundar authored Mar 08, 2017
  c860937b

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Commits · 09decde6b8049dcefa25b6325d6ec43f0883e278