All software
ESMValTool
The Earth System Model eValuation Tool is a community diagnostics and performance metrics tool for the evaluation of Earth System Models that allows for routine comparison of models and observations.
- Big data
- Optimized data handling
- Visualization
- + 1
- (Dockerfile)
- ("Emacs Lisp")
- (Jinja)
- + 7
AMUSE
Combine existing numerical codes in an easy to use Python framework. With AMUSE you can simulate objects such as star clusters, proto-planetary disks and galaxies.
- High performance computing
- Multi-scale & multi model simulations
- Workflow technologies
- (Assembly)
- (C)
- (C++)
- + 23
ESMValCore
ESMValTool Core: core functionalities and driver for ESMValTool, a community diagnostic and performance metrics tool for routine evaluation of Earth System Models in CMIP.
- Big data
- Optimized data handling
- Visualization
- + 1
- (Dockerfile)
- (HTML)
- (JavaScript)
- + 4
QMflows
Construction and efficient execution of computational chemistry workflows.
- Multi-scale & multi model simulations
- Workflow technologies
- ("Jupyter Notebook")
- (Python)
- (Shell)
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)
- (Scala)
- (Shell)
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)