3D-e-Chem Virtual Machine

A freely available Virtual Machine encompassing tools, databases, and workflows for cheminformaticians, including new resources developed for ligand binding site comparisons and GPCR research.

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162 commits | Last update: September 27, 2018

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What 3D-e-Chem Virtual Machine can do for you

  • Gives cheminformaticians that don't want to install lots of software a single command to get all the software they need to perform ligand binding site comparisons and GPCR research
  • The VM contains a fully functional cheminformatics infrastructure
  • The VM was used in several workshops, giving all participants the same environment and quick start
Tags
  • Workflow technologies
  • Inter-operability & linked data
Programming Language
  • YAML
License
  • Apache-2.0
Source code

Participating organizations

Contributors

  • Stefan Verhoeven
    Netherlands eScience Center
  • Ross McGuire
    Radboud University Nijmegen
Contact person
Stefan Verhoeven
Netherlands eScience Center