Workflows

Created At
Go
10 Workflows visible to you, out of a total of 10

This PyCOMPSs workflow tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb) in PyCOMPSs for execution on HPC. Three variants of the MD Setup workflows are included, supporting a list of structures, a list of mutations, or a cumulative set of mutations.

Type: PyCOMPSs

Creator: Adam Hospital, Pau Andrio

Submitter: Stian Soiland-Reyes

Work-in-progress

I don't even know. Only works on BSC.

Type: Common Workflow Language

Creators: None

Submitter: Stian Soiland-Reyes

Stable

Common Workflow Language example that illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb). The particular example used is the Lysozyme protein (PDB code 1AKI).

Type: Common Workflow Language

Creators: None

Submitter: Stian Soiland-Reyes

No description specified

Type: Unrecognized workflow type

Creators: None

Submitter: Stian Soiland-Reyes

Work-in-progress

BioExcel building blocks workflow used in the COVID-19 research

Type: Unrecognized workflow type

Creators: None

Submitter: Stian Soiland-Reyes

No description specified

Type: Unrecognized workflow type

Creator: Stian Soiland-Reyes

Submitter: Stian Soiland-Reyes

No description specified

Type: Unrecognized workflow type

Creator: Stian Soiland-Reyes

Submitter: Stian Soiland-Reyes

Powered by
(v.1.12.2)
Copyright © 2008 - 2022 The University of Manchester and HITS gGmbH