Workflows

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844 Workflows visible to you, out of a total of 923
Photometric Redshift Estimation for Candidate Optical Counterparts of Astronomical Sources Extracted from Texts
Work-in-progress
No description specified

Type: Galaxy

Creators: None

Submitter: Andrei Variu

PVGA

PVGA is a powerful virus-focused assembler that does both assembly and polishing. For virus genomes, small changes will lead to significant differences in terms of viral function and pathogenicity. Thus, for virus-focused assemblers, high-accuracy results are crucial. Our approach heavily depends on the input reads as evidence to produce the reported genome. It first adopts a reference genome to start with. We then align all the reads against the reference genome to get an alignment graph. After ...

Type: Python

Creator: Zhi Song

Submitter: Zhi Song

DOI: 10.48546/workflowhub.workflow.1305.1

nf-core/airrflow

GitHub Actions CI Status GitHub Actions Linting Status AWS CI ...

Type: Nextflow

Creators: Gisela Gabernet, Simon Heumos, Alexander Peltzer

Submitter: WorkflowHub Bot

mags-building/main

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

mfassignr/main

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

qcxms-sdf/main

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

KNIME workflow to gather ChEMBL permeability data
Deprecated
No description specified

Type: KNIME

Creator: Kateřina Storchmannová

Submitter: Kateřina Storchmannová

How Usable Are Published Permeability Data?
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

End-to-end EI+ mass spectra prediction workflow using QCxMS
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

nf-core/demultiplex

GitHub Actions CI Status GitHub Actions Linting StatusAWS CI[![Cite ...

Type: Nextflow

Creators: Chelsea Sawyer, Edmund Miller, Matthias De Smet

Submitter: WorkflowHub Bot

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