All software
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
GSA report
GSAreport is an application to easily generate reports that describe the global sensitivities of your input parameters as best as possible. You can use the reporting application to inspect which features are important for a given real world function / simulator or model.
- Explainable AI
- Machine learning
- python
- + 1
- Python
- HTML
- CSS
- + 1
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
sv-callers
Highly portable parallel workflow to detect structural variants in cancer genomes.
- Big data
- High performance computing
- Workflow technologies
- Python
- Shell
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