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Software

ESMValTool

ES

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.

Updated 8 months ago
81 84

ESMValCore

ES

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

Updated 8 months ago
36 41

APE (Automated Pipeline Explorer)

AP

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

Updated 1 week ago
17 2

sv-callers

SV

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

Updated 8 months ago
12 4

MDStudio

MD

A tool to run molecular dynamics workflows.

Updated 8 months ago
10 4

QMflows

QM

Construction and efficient execution of computational chemistry workflows.

Updated 8 months ago
5 3

Noodles

NO

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.

Updated 8 months ago
4 9

3D-e-Chem Virtual Machine

3D

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

Updated 8 months ago
3 2

KLIFS KNIME nodes

KL

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.

Updated 8 months ago
3 2

AMUSE

AM

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.

Updated 8 months ago
2 5

SyGMa

SY

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

Updated 8 months ago
2 2

KNIME node for Kripo

KN

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

Updated 8 months ago
2 1