Algorithms and Methods

MetaPath

MetaPath: Metabolic pathway visualisation and analysis (MetaPath)

MetaPath is a tool for the analysis of metabolic pathway and associated visualisation of experimental data. Built on the MetaCyc database it provides an interactive map in which multiple pathways can be simultaneously visualised. Multiple annotations from the MetaCyc database are available including synonyms, associated reactions and pathways and database unification links. Metabolomics change data can be imported via simple CSV formats for visualisation on targeted pathways. Pathways can be mined and removed algorithmically to identify key re

Quantum Espresso

Quantum Espresso

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Quantum ESPRESSO has evolved into a distribution of independent and inter-operable codes in the spirit of an open-source project. The QuantumESPRESSO distribution consists of a “historical” core set of packages and a set of plu

JSC

Juelich Supercomputing Centre (Forschungszentrum Juelich) (JSC)

The Jülich Supercomputing Centre operates supercomputers of the highest performance class. We enable scientists and engineers to solve their highly complex problems by simulations.

Forschungszentrum Jülich has been operating the first German supercomputing centre since 1987, and with the Jülich Institute for Advanced Simulation it is continuing the long tradition of scientific computing at Jülich. Computing time at the highest performance level is made available to researchers
in Germany and Europe by means of an independent peer-review process. At the time being, JSC operate

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