Workflows

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1463 Workflows visible to you, out of a total of 1558
Stable

Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This 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). The particular example used is the Lysozyme protein (PDB code 1AKI).


Copyright & Licensing

This software has been developed in the [MMB ...

Stable

Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This 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). The particular example used is the Lysozyme protein (PDB code 1AKI).


Copyright & Licensing

This software has been developed in the [MMB ...

Stable

Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This 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). The particular example used is the Lysozyme protein (PDB code 1AKI).


Copyright & Licensing

This software has been developed in the [MMB ...

Type: Common Workflow Language

Creators: Adam Hospital, Genís Bayarri

Submitter: Genís Bayarri

DOI: 10.48546/workflowhub.workflow.279.3

Stable

Protein MD Setup tutorial using BioExcel Building Blocks (biobb)

Based on the official GROMACS tutorial.


This 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). The particular example used is the Lysozyme protein (PDB code 1AKI).


Copyright & Licensing

This software has been developed in the [MMB ...

This workflow performs functional annotation of protein and nucleotide sequences (including CDS, genomes and metagenomes) using eggNOG-mapper and InterProScan, supports collection inputs and optional analysis steps, and can assess KEGG pathway completeness.

Type: Galaxy

Creators: Romane Libouban, Anthony Bretaudeau

Submitter: WorkflowHub Bot

Work-in-progress

plant2human workflow 🌾 ↔ 🕺

GitHub last commit (branch) Status cwltool License ...

Type: Common Workflow Language

Creator: Sora Yonezawa

Submitter: Sora Yonezawa

DOI: 10.48546/workflowhub.workflow.1206.11

Associated Tutorial

This workflows is part of the tutorial Introduction to Galaxy as an RDM platform, available in the GTN

Features

Type: Galaxy

Creators: None

Submitter: GTN Bot

Work-in-progress

Workflow Overview

This Galaxy workflow allows transferring ARC imaging data stored as .ZIP file to a target OMERO instance by 1) keeping the ARC structure and 2) automatize the metadata annotation of the assay.

How does it works

The workflow extract all the ./assays/experiment/dataset/ file path and create an OMERO dataset containing the images. The "isa.assay.xlsx" file is used to add key-value pairs to the dataset.

Workflow Inputs

The workflow as three different data inputs: ...

Type: Galaxy

Creator: Riccardo Massei

Submitter: Riccardo Massei

This workflow performs automated, parallel annotation of metagenome-assembled genomes (MAGs) to generate standardized annotation outputs, merged summary tables, and integrated quality reports across all genomes.

Type: Galaxy

Creators: Paul Zierep, Santino Faack

Submitter: WorkflowHub Bot

This experiment has been executed using:

  • Model: Decision Tree regressor (test.yaml)
  • n_samples: 8 (number of ALYA simulations to be run)
  • Nodes used in the MN5 supercomputer: 4
  • ALYA_PROCS = 56

Adapted version of a workflow used in CAELESTIS for mechanical testing simulation which was developed by Riccardo Cecco (Workflows and Distributed Computing Group, BSC) with the guidance of Gerard Guillamet (Dual Technologies Research Group, BSC) and Aravind Sasikumar (AMADE Research UDG). The workflow ...

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