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Commits on Jan 22, 2020

• Merge pull request #69 from guoweiqi/fixsdf

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  davidlmobley

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Commits on Jan 13, 2020

• Merge pull request #71 from jchodera/fix-BRD4-PDBs

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  davidlmobley

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Commits on Jan 12, 2020

• Update README

  jchodera

  committed
  aef202d

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• Remediate BRD4 PDB files

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  jchodera

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Commits on Jun 4, 2019

• added formal charges to sdf files

  

  Guowei Qi

  committed
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• added fixsdf script

  guoweiqi

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Commits on Mar 24, 2018

• Merge pull request #59 from MobleyLab/jiyin

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  davidlmobley

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Commits on Dec 21, 2017

• Merge pull request #65 from MobleyLab/issue63

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  davidlmobley

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• Resolve issue 63.

  davidlmobley

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Commits on Nov 24, 2017

• Add info on how to cite to README.md

  davidlmobley

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Commits on Sep 1, 2017

• added the sampl5 ID for gdcc-set1

  

  Jian Yin

  committed
  023380e

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• added the sampl5 ID for gdcc-set1

  

  Jian Yin

  committed
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• added the sampl5 ID for gdcc-set1

  

  Jian Yin

  committed
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• added README for gdcc-set1

  

  Jian Yin

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Commits on Aug 28, 2017

• Merge pull request #58 from MobleyLab/mobley

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  davidlmobley

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• Update version number for ongoing development

  davidlmobley

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• Merge pull request #57 from MobleyLab/mobley

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  davidlmobley

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• Update README for 1.3 release

  davidlmobley

  committed
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• Add version 1.3 release version

  davidlmobley

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• Merge pull request #56 from MobleyLab/mobley

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  davidlmobley

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• Update README.md to reflect BRD4(1) changes

  davidlmobley

  committed
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• Merge pull request #48 from MobleyLab/GHeinzelmann

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  davidlmobley

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Commits on Aug 27, 2017

• merge GHeinzelmann/master

  GHeinzelmann

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Commits on Aug 26, 2017

• Merge pull request #47 from MobleyLab/nieldev

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  davidlmobley

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Commits on Aug 25, 2017

• Added Mike's changes, changed table uncertainty to %.2f

  nhenriksen

  committed
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• Apo name

  GHeinzelmann

  committed
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• New files and table

  GHeinzelmann

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• Added references to other computational studies

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  nhenriksen

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Commits on Aug 24, 2017

• Merge branch 'nieldev' of github.com:MobleyLab/benchmarksets into nieldev

  nhenriksen

  committed
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• Addressed @davidlmobley requested changes for PR #47

  nhenriksen

  committed
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• Update README.md

  nhenriksen

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• Update README.md

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  nhenriksen

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• Update README.md

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  nhenriksen

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Commits on Aug 23, 2017

• Merge pull request #51 from MobleyLab/nieldev_mobley

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  nhenriksen

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• get pdf merged

  nhenriksen

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