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Published May 17, 2016 | Version v1.1.0
Software Open

3D-e-Chem-VM: v1.1.0

Authors/Creators

  • 1. Nederlands eScience Center
  • 2. UMC Nijmegen
  • 3. Vrije Universiteit Amsterdam
  • 4. BioAxis Research

Description

Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows.

Vagrant box at https://atlas.hashicorp.com/nlesc/boxes/3d-e-chem/versions/1.1.0

Changed

  • Based on Chemical Analytics Platform 0.8.0
  • Upgraded RDKit to 2016.03.1
  • Upgraded Ubuntu to 16.04
  • Upgraded Knime to v3.1.2
  • Upgraded Virtualbox Guest Additions to v5.0.20

Added

  • ss-TEA Knime node

Files

3D-e-Chem-VM-v1.1.0.zip

Files (27.4 kB)

Name Size Download all
md5:be70b8e2a3cc7e8ac0e25ede4793ff01
27.4 kB Preview Download

Additional details

Related works

Is supplement to
https://github.com/3D-e-Chem/3D-e-Chem-VM/tree/v1.1.0 (URL)
https://atlas.hashicorp.com/nlesc/boxes/3d-e-chem/versions/1.1.0 (URL)