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v1.3.0

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@sverhoeven sverhoeven released this 27 Jan 09:45
· 26 commits to master since this release

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

Based on Chemical Analytics Platform version 0.8.4

Added

  • KNIME molviewer node & example (#27)

Changed

  • Switched to single 3D-e-Chem feature instead of every node separately (#28)
  • Upgraded KNIME to v3.3.1
  • Upgraded KripoDB to v2.1.0
  • Upgraded Virtualbox Guest Additions to v5.1.14
  • Upgraded RDKit to 2016_09_3