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3D-e-Chem Virtual Machine

A freely available Virtual Machine encompassing tools, databases, and workflows for cheminformaticians, including new resources developed for ligand binding site comparisons and GPCR research.

Inter-operability & linked data
Workflow technologies

Shell
Smarty

KLIFS KNIME nodes

If you are working in the KNIME worflow platform and need data about your favorite kinase receptor ligand interaction, then these nodes are for you.

Workflow technologies

Java
Shell
Scala

KNIME Silicos-it nodes

A node for the KNIME workflow systems that allows you to use the Silicos-it software to filter or align molecules.

Workflow technologies

Java

KNIME node archetype

Want to write your own KNIME node Then use the KNIME node archetype to generate a node skeleton repository with sample code.

Workflow technologies

Java

KNIME GPCRdb nodes

A node for the KNIME workflow systems that allows you to retrieve data about your favorite G protein-coupled receptors from gpcrdb.org.

Workflow technologies

Java

KNIME node for Kripo

A node for the KNIME workflow systems that allows you to compare different binding sites in proteins with each other.

Workflow technologies

Java

KNIME Testflow

Allows you to test KNIME nodes automatically using JUnit.

Workflow technologies

Java

KNIME Pharmacophore

A plugin for the KNIME workflow system that adds a Pharmacophore data type and nodes to read, write, and align them.

Workflow technologies

Java

KNIME PLANTS

A node for the KNIME workflow system that allows you to use the PLANTS protein-ligand docking algorithm.

Workflow technologies

Java
Mustache

KNIME Python node archetype

Want to write your own KNIME node wrapping a Python library. Then use the KNIME Python node archetype to generate a node skeleton repository with sample code

Big data
Workflow technologies

Java
Python

KNIME Python wrapper

If you are developing a KNIME node which calls some Python code, then the KNIME Python wrapper can help you.

Workflow technologies

Java
Python

4CAT Capture & Analysis Toolkit

The 4CAT Capture and Analysis Toolkit provides modular data capture & analysis for a variety of social media platforms. Its goal is to make the capture and analysis of data from these platforms accessible to people through a web interface, without requiring any programming or web scraping skills.

Big data
python
Social media
+ 1

Python
JavaScript
HTML
+ 4