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54 software items. Page 1 of 5. 12 items per page. 1 filters active.
1-12 of 54

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
110
463

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
6
327

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
54
160

QMflows

Construction and efficient execution of computational chemistry workflows.

  • Multi-scale & multi model simulations
  • Workflow technologies
  • ("Jupyter Notebook")
  • (Python)
  • (Shell)
3
63

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)
2
42

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)
2
42

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)
2
40

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)
1
40

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)
2
40

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)
1
40

KNIME Testflow

Allows you to test KNIME nodes automatically using JUnit.

  • Workflow technologies
  • (Java)
1
40

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)
1
39