Skip to content

Releases: 3D-e-Chem/knime-silicos-it

v1.1.4

22 Nov 13:07
c9cb8a2
Compare
Choose a tag to compare

KNIME nodes and example workflows for software made by Silicos-it like shape-it to align molecules based on shape and align-it to align molecules based on their pharmacophore.

Changes

  • Requires KNIME 5.1

v1.1.3

27 Jun 10:24
04729c6
Compare
Choose a tag to compare

KNIME nodes and example workflows for software made by Silicos-it like shape-it to align molecules based on shape and align-it to align molecules based on their pharmacophore.

Changes

  • Requires KNIME 4.0 #8

v1.1.2

08 Nov 10:38
Compare
Choose a tag to compare

KNIME nodes and example workflows for software made by Silicos-it like shape-it to align molecules based on shape and align-it to align molecules based on their pharmacophore.

Fixed

  • Destroy process when thread is interrupted

v1.1.1

26 Sep 12:49
Compare
Choose a tag to compare

KNIME nodes and example workflows for software made by Silicos-it like shape-it to align molecules based on shape and align-it to align molecules based on their pharmacophore.

Fixed

  • Metanodes not found
  • Shape-it SDF reader mol name as row id (#5)

v1.0.1

21 Jul 14:33
Compare
Choose a tag to compare

KNIME nodes and example workflows for software made by Silicos-it like shape-it to align molecules based on shape and align-it to align molecules based on their pharmacophore.

Changed

v1.0.0

21 Apr 12:42
Compare
Choose a tag to compare

KNIME nodes and example workflows for software made by Silicos-it like shape-it to align molecules based on shape and align-it to align molecules based on their pharmacophore.

Added

  • Metanodes to execute align-it, filter-it, qed, shape-it and strip-it (#2)
  • Node to read *.phar pharmacophore file format (#1)