Workflows
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Create Meryl Database used for the estimation of assembly parameters and quality control with Merqury. Part of the VGP pipeline.
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.
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.
Perform dcTMD free energy simulations and calculations
Type: Nextflow
Creators: Christopher Mohr, Alexander Peltzer, Sven Fillinger
Submitter: WorkflowHub Bot