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Commits on Jul 21, 2022

• Merge pull request #15 from mjkoop/python

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  cgorgulla

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• Updating documentation and sample templates

  mjkoop

  committed
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• Merge pull request #14 from mjkoop/python

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  cgorgulla

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• Python version of VFVS

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  mjkoop

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Commits on Jul 10, 2022

• Bugfix multiple replicas

  cgorgulla

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• Bugfix related to Bash 4.4

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  cgorgulla

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Commits on Jun 11, 2022

• Workaround to fix bug regarding date command on ARM architecture

  cgorgulla

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Commits on May 7, 2022

• Merge branch 'energy_check' into develop

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• Adding compound SMILES to summary file

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Commits on Feb 18, 2022

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

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• Streamlining docking scenario name with docking scenario folder

  cgorgulla

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• Update README.md

  cgorgulla

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• Update README.md

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  cgorgulla

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Commits on Aug 18, 2021

• Adding smiles of the ligand to summary file

  cgorgulla

  committed
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• Adding energy check for pdbqt format

  cgorgulla

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Commits on Aug 5, 2021

• Update template1.slurm.sh

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  cgorgulla

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• Merge pull request #10 from mjkoop/develop

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  cgorgulla

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• Merge pull request #11 from mjkoop/awsbatch

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  cgorgulla

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Commits on Aug 4, 2021

• Updating permissions on executables

  mjkoop

  committed
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• Initial version of support for AWS Batch

  mjkoop

  committed
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Commits on Aug 3, 2021

• Typo fix

  mjkoop

  committed
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Commits on Jun 5, 2021

• bugfix (typo in variable ligand_library_format in the control file)

  cgorgulla

  committed
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Commits on Apr 24, 2021

• Merge branch 'develop' of github.com:/VirtualFlow/VFVS into develop

  cgorgulla

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• Merge branch 'plants' into develop, since plants feature is working now.

  cgorgulla

  committed
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• mol2 library format support for VirtualFlow Ants

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Commits on Apr 22, 2021

• Update README.md

  cgorgulla

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Commits on Apr 6, 2021

• bugfix

  cgorgulla

  committed
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• bugfix

  cgorgulla

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• bugfix

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• bugfix

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• bugfix

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• bugfix

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• bugfix

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• bugfix

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• bugfix

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