Repositories list

• 3D-e-Chem.github.io

  Public
  HTML

  •

  Apache License 2.0

  •1•2•2•1•Updated Feb 5, 2025Feb 5, 2025

• knime-kripodb

  Public
  Knime node for KripoDB package

  Java

  •

  GNU General Public License v3.0

  •1•0•0•1•Updated Sep 16, 2024Sep 16, 2024

• knime-testflow

  Public
  Test Knime workflows from a Junit test.

  Java

  •

  GNU General Public License v3.0

  •2•2•3•0•Updated Mar 25, 2024Mar 25, 2024

• tycho-knime-node-archetype

  Public
  Maven archetype for Knime node extension

  Java

  •

  Apache License 2.0

  •3•7•6•0•Updated Nov 24, 2023Nov 24, 2023

• knime-node-collection

  Public
  KNIME feature for all 3D-e-Chem nodes

  GNU General Public License v3.0

  •1•2•2•0•Updated Nov 23, 2023Nov 23, 2023

• knime-python-node-archetype

  Public archive
  Knime Python node archetype

  Java

  •

  Apache License 2.0

  •0•0•1•1•Updated Nov 23, 2023Nov 23, 2023

• knime-python-wrapper

  Public archive
  Utilities for development of KNIME nodes calling Python scripts.

  Java

  •

  GNU General Public License v3.0

  •1•1•1•0•Updated Nov 23, 2023Nov 23, 2023

• knime-sygma

  Public
  KNIME nodes for Sygma

  Java

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Nov 23, 2023Nov 23, 2023

• knime-silicos-it

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

  Java

  •

  Apache License 2.0

  •4•2•3•0•Updated Nov 22, 2023Nov 22, 2023

• knime-plants

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

  Java

  •

  Apache License 2.0

  •2•4•3•0•Updated Nov 22, 2023Nov 22, 2023

• knime-pharmacophore

  Public
  KNIME nodes to read/write pharmacophore files

  Java

  •

  Apache License 2.0

  •1•1•0•0•Updated Nov 22, 2023Nov 22, 2023

• knime-molviewer

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

  Java

  •

  Apache License 2.0

  •0•3•4•0•Updated Nov 22, 2023Nov 22, 2023

• knime-klifs

  Public
  Knime nodes to interact with KLIFS

  Java

  •

  Apache License 2.0

  •0•4•1•2•Updated Nov 21, 2023Nov 21, 2023

• knime-gpcrdb

  Public
  GPCRDB nodes for Knime

  Java

  •

  Apache License 2.0

  •1•4•3•1•Updated Nov 21, 2023Nov 21, 2023

• knime-modified-tanimoto

  Public
  Knime plugin for calculating distance of bitvector using Modifed Tanimoto similarity index

  Java

  •

  Apache License 2.0

  •0•0•0•0•Updated Nov 21, 2023Nov 21, 2023

• knime-sstea

  Public
  Knime node to calculate ss-TEA score of sequence alignment and subfamily members.

  Java

  •

  Apache License 2.0

  •0•0•3•0•Updated Nov 21, 2023Nov 21, 2023

• knime-3d-e-chem

  Public
  KNIME node category, splash screen and bundle for all 3D-e-Chem nodes

  Apache License 2.0

  •0•0•1•0•Updated Nov 21, 2023Nov 21, 2023

• kripo

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

  Python

  •

  Apache License 2.0

  •6•17•0•2•Updated Dec 26, 2022Dec 26, 2022

• workflows

  Public
  KNIME workflows developed in project using nodes developed in project.

  Apache License 2.0

  •6•8•1•1•Updated Apr 20, 2022Apr 20, 2022

• molviewer-tsx

  Public
  Visualize protein with it's natural ligand and candidates

  TypeScript

  •

  Apache License 2.0

  •1•2•4•0•Updated Sep 21, 2021Sep 21, 2021

• kripodb

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

  Python

  •

  Apache License 2.0

  •2•8•8•0•Updated Jan 20, 2021Jan 20, 2021

• tutorial

  Public
  HTML

  •

  Creative Commons Attribution 4.0 International

  •0•0•2•0•Updated Apr 2, 2020Apr 2, 2020

• snooker-alignment

  Public
  Scripts to generate a GPCR multiple sequence alignment

  Python

  •

  Apache License 2.0

  •0•1•0•0•Updated Oct 1, 2018Oct 1, 2018

• 3D-e-Chem-VM

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

  Shell

  •

  Apache License 2.0

  •3•17•5•0•Updated Sep 27, 2018Sep 27, 2018

• sygma

  Public
  A python library for prediction of drug metabolites

  Python

  •

  GNU General Public License v3.0

  •4•19•4•0•Updated Mar 19, 2018Mar 19, 2018

• docker-silicos-it

  Public
  Docker image for silicos-it software

  Apache License 2.0

  •0•1•0•0•Updated Aug 15, 2017Aug 15, 2017

• sygma-feedstock

  Public
  A conda-smithy repository for sygma.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Feb 7, 2017Feb 7, 2017

• conda-kripodb

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

  Batchfile

  •

  Apache License 2.0

  •0•0•0•0•Updated Jan 18, 2017Jan 18, 2017

• knime-spores

  Public
  KNIME node to run SPORES for automated protein and ligand preparation for docking experiments

  Apache License 2.0

  •0•0•0•0•Updated Nov 29, 2016Nov 29, 2016

• swagger-rewriter

  Public
  Use this script to rewrite a Swagger document to match the endpoints on a server.

  Java

  •

  Apache License 2.0

  •0•0•0•0•Updated Sep 28, 2016Sep 28, 2016