@3D-e-Chem

3D-e-Chem NLeSC project

Software repositories for 3D-e-Chem project of Netherlands eScience Center

  • KNIME nodes and example workflows for software made by Silicos-it, ie. align-it, shape-it

    Java 1 Apache-2.0 2 issues need help Updated Jul 19, 2018
  • KNIME feature for all 3D-e-Chem nodes

    GPL-3.0 Updated Jul 5, 2018
  • KNIME nodes to read/write pharmacophore files

    Java 1 Apache-2.0 Updated Jul 5, 2018
  • HTML 2 1 Apache-2.0 Updated Jul 5, 2018
  • KNIME workflows developed in project using nodes developed in project.

    1 1 Apache-2.0 Updated Jun 26, 2018
  • Knime node to calculate ss-TEA score of sequence alignment and subfamily members.

    Java Apache-2.0 Updated Apr 4, 2018
  • GPCRDB nodes for Knime

    Java Apache-2.0 Updated Apr 4, 2018
  • Knime node for KripoDB package

    Java GPL-3.0 Updated Apr 4, 2018
  • Library to interact with Kripo fragment, fingerprint and similarity data files.

    Python 2 1 Apache-2.0 Updated Mar 30, 2018
  • Command line tool to generate Kripo fingerprints from Protein Data Bank files.

    Python 1 Updated Mar 29, 2018
  • KNIME node which launches a web browser with moleculer viewer powered by webgl

    JavaScript Apache-2.0 Updated Mar 23, 2018
  • Maven archetype for Knime node extension

    Java 2 2 Apache-2.0 Updated Mar 23, 2018
  • Test Knime workflows from a Junit test.

    Java 1 GPL-3.0 Updated Mar 23, 2018
  • Utilities for development of KNIME nodes calling Python scripts.

    Java GPL-3.0 Updated Mar 23, 2018
  • KNIME nodes to configure, run and analyze PLANTS protein-ligand docking

    Java Apache-2.0 Updated Mar 23, 2018
  • Knime plugin for calculating distance of bitvector using Modifed Tanimoto similarity index

    Java Apache-2.0 Updated Mar 23, 2018
  • Knime nodes to interact with KLIFS

    Java Apache-2.0 Updated Mar 23, 2018
  • Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows

    Shell 9 1 Apache-2.0 Updated Mar 23, 2018
  • A python library for prediction of drug metabolites

    Python 4 GPL-3.0 Updated Mar 19, 2018
  • Knime Python node archetype

    Java Apache-2.0 Updated Feb 8, 2018
  • KNIME nodes for Sygma

    Java GPL-3.0 Updated Feb 7, 2018
  • Visualize protein with it's natural ligand and candidates

    TypeScript Apache-2.0 Updated Dec 12, 2017
  • Docker image for silicos-it software

    Apache-2.0 Updated Aug 15, 2017
  • CC-BY-4.0 Updated May 30, 2017
  • A conda-smithy repository for sygma.

    Shell BSD-3-Clause Updated Feb 7, 2017
  • KNIME node category, splash screen and bundle for all 3D-e-Chem nodes

    Apache-2.0 Updated Jan 25, 2017
  • conda-kripodb Archived

    Conda recipy for kripodb: NOT USED ANYMORE use pip to install

    Batchfile Apache-2.0 Updated Jan 18, 2017
  • KNIME node to run SPORES for automated protein and ligand preparation for docking experiments

    Apache-2.0 Updated Nov 29, 2016
  • Use this script to rewrite a Swagger document to match the endpoints on a server.

    Java Apache-2.0 Updated Sep 28, 2016
  • C++ 115 Apache-2.0 Updated Sep 21, 2016