3D-e-Chem/workflows

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3D-e-Chem/workflows

3D-e-Chem

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KNIME workflows developed in project using nodes developed in project.

kripo

Command line tool to generate Kripo fingerprints from Protein Data Bank files.

3D-e-Chem-VM

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

sygma

A python library for prediction of drug metabolites

kripodb

Library to interact with Kripo fragment, fingerprint and similarity data files.

rdkit-react

Script to perform reactions on molecules using RDKIT

tycho-knime-node-archetype

Maven archetype for Knime node extension

knime-klifs

Knime nodes to interact with KLIFS

knime-molviewer

KNIME node which launches a web browser with moleculer viewer powered by webgl

knime-plants

KNIME nodes to configure, run and analyze PLANTS protein-ligand docking

knime-gpcrdb

GPCRDB nodes for Knime

knime-node-collection

KNIME feature for all 3D-e-Chem nodes

molviewer-tsx

Visualize protein with it's natural ligand and candidates

3D-e-Chem.github.io

knime-testflow

Test Knime workflows from a Junit test.

knime-silicos-it

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

knime-python-wrapper

Utilities for development of KNIME nodes calling Python scripts.

snooker-alignment

Scripts to generate a GPCR multiple sequence alignment

knime-pharmacophore

KNIME nodes to read/write pharmacophore files