Software

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.

ESMValTool Core: core functionalities and driver for ESMValTool, a community diagnostic and performance metrics tool for routine evaluation of Earth System Models in CMIP.

A command line tool and Java API for the automated exploration of possible computational pipelines (scientific workflows) from large collections of computational tools.

Highly portable parallel workflow to detect structural variants in cancer genomes.

A tool to run molecular dynamics workflows.

Construction and efficient execution of computational chemistry workflows.

Task-based parallel programming model in Python that offers the same intuitive interface when running complex workflows on your laptop or on large computer clusters.

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

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.

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.

SyGMa provides fast and lightweight predictions of human metabolites to support discovery scientists design better and safer drugs

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