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Commits on Nov 11, 2022

• Merge pull request #21 from jmcsally/scipy-update

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  lenhsherr

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• Update _binCluster for compatiability scipy

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  jmcsally

  authored
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Commits on Apr 6, 2021

• Rename AS_chimera_alpha.py to AS_Chimera_alpha.py

  lenhsherr

  authored
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• Update View.py

  lenhsherr

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Commits on Nov 6, 2020

• initial dpocket writing

  

  Haotian Li

  committed
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Commits on Oct 27, 2020

• bug fix

  

  Haotian Li

  committed
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Commits on Jun 14, 2020

• Nonpolar Space Calculation

  

  Haotian Li

  committed
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• new example for cookbook

  

  Haotian Li

  committed
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Commits on Jul 22, 2019

• new examples for community and optimizability

  lenhsherr

  committed
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Commits on Jul 9, 2019

• new examples for calculating feature

  lenhsherr

  committed
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Commits on Jun 29, 2019

• new examples

  lenhsherr

  committed
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• new examples

  lenhsherr

  committed
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• new examples

  lenhsherr

  committed
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• new examples

  lenhsherr

  committed
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Commits on Mar 11, 2019

• add contact only option to save method

  lenhsherr

  committed
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Commits on Feb 8, 2019

• release ready

  lenhsherr

  committed
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Commits on Jan 30, 2019

• reorganize

  lenhsherr

  committed
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Commits on Jan 29, 2019

• release ready

  lenhsherr

  committed
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• release ready

  lenhsherr

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• add legacy support for chimera visualization, and a commandline application

  lenhsherr

  committed
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Commits on Dec 6, 2018

• Merge branch 'master' into beta_cluster_release

  lenhsherr

  committed
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• beta scoring bug fix

  lenhsherr

  committed
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Commits on Nov 7, 2018

• beta scoring bug fix

  lenhsherr

  committed
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• beta scoring bug fix

  lenhsherr

  committed
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• beta scoring bug fix

  lenhsherr

  committed
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Commits on Oct 24, 2018

• cleanup

  lenhsherr

  committed
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Commits on Oct 23, 2018

• Merge remote-tracking branch 'origin/beta_cluster_release' into beta_cluster_release

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  lenhsherr

  committed
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• clean up for release

  lenhsherr

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Commits on Oct 17, 2018

• clean up for release

  lenhsherr

  committed
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Commits on May 25, 2018

• d-pocket functionality

  lenhsherr

  committed
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Commits on May 9, 2018

• DTM Scoring functions

  lenhsherr

  committed
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Commits on May 3, 2018

• example to score water molecules with autodock Vina

  lenhsherr

  committed
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• code clean up

  lenhsherr

  committed
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• a new load and process function that takes reference pdbqt structure

  lenhsherr

  committed
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Commits on May 1, 2018

• New Example for bin clustering

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