Recent Releases of knime-silicos-it

knime-silicos-it - v1.1.4

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

- Java
Published by sverhoeven over 2 years ago

knime-silicos-it - v1.1.3

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

- Java
Published by sverhoeven almost 7 years ago

knime-silicos-it - v1.1.2

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

- Java
Published by sverhoeven over 8 years ago

knime-silicos-it - v1.1.1

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)

- Java
Published by sverhoeven over 8 years ago

knime-silicos-it - v1.0.1

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

  • Moved Pharmacophore reader node to own plugin at https://github.com/3D-e-Chem/knime-pharmacophore

- Java
Published by sverhoeven over 8 years ago

knime-silicos-it - v1.0.0

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)

- Java
Published by sverhoeven almost 9 years ago