Workflows

What is a Workflow?
834 Workflows visible to you, out of a total of 910

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Type: Nextflow

Creators: Gisela Gabernet, Simon Heumos, Alexander Peltzer

Submitter: WorkflowHub Bot

This workflow constructs Metagenome-Assembled Genomes (MAGs) using SPAdes or MEGAHIT as assemblers, followed by binning with four different tools and refinement using Binette. The resulting MAGs are dereplicated across the entire input sample set, then annotated and evaluated for quality. You can provide pooled reads (for co-assembly/binning), individual read sets, or a combination of both. The input samples must consist of the original reads, which are used for abundance estimation. In all cases, ...

Type: Galaxy

Creators: Bérénice Batut, Paul Zierep, Mina Hojat Ansari, Patrick Bühler, Santino Faack

Submitter: WorkflowHub Bot

This workflow can be used to assign multi-element molecular formulas to ultrahigh resolution mass spectra.

Type: Galaxy

Creators: Kristina Gomoryova, Helge Hecht, RECETOX, MUNI

Submitter: WorkflowHub Bot

Workflow to predict EI mass spectra using QCxMS starting from a single SDF file, containing the 3D coordinates of all atoms in the molecule. These files can typically be obtained from PubChem.

Type: Galaxy

Creators: Helge Hecht, RECETOX

Submitter: WorkflowHub Bot

Deprecated
No description specified

Type: KNIME

Creator: Kateřina Storchmannová

Submitter: Kateřina Storchmannová

Deprecated

Current version of this workflow: https://workflowhub.eu/workflows/1109. Please use only with the new version. KNIME workflow to gather ChEMBL permeability data is availbale: https://workflowhub.eu/workflows/1169.

Type: KNIME

Creator: Kateřina Storchmannová

Submitter: Kateřina Storchmannová

Stable

High-Performance Computing (HPC) environments are integral to quantum chemistry and computationally intense research, yet their complexity poses challenges for non-HPC experts. Navigating these environments proves challenging for researchers lacking extensive computational knowledge, hindering efficient use of domain specific research software. The prediction of mass spectra for in silico annotation is therefore inaccessible for many wet lab scientists. Our main goal is to facilitate non-experts ...

Type: Galaxy

Creators: Zargham Ahmad, Helge Hecht, Wudmir Rojas, RECETOX SpecDat

Submitters: Helge Hecht, Wudmir Rojas

DOI: 10.48546/workflowhub.workflow.897.3

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Type: Nextflow

Creators: Chelsea Sawyer, Edmund Miller, Matthias De Smet

Submitter: WorkflowHub Bot

Barcode Gene Extractor & Evaluator (BGEE) Snakemake workflow

Snakemake workflow for recovering high-quality barcode sequences from genome skim data, built around MitoGeneExtractor and adapted for genome skims of museum specimens.

Contents

Type: Snakemake

Creator: Dan Parsons

Submitter: Dan Parsons

Barcode Gene Extractor & Evaluator (BGEE) Snakemake workflow

Snakemake workflow for recovering high-quality barcode sequences from genome skim data, built around MitoGeneExtractor and adapted for genome skims of museum specimens.

Contents

Type: Snakemake

Creator: Dan Parsons

Submitter: Dan Parsons

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