All Published Workflows

4 workflows that have been reviewed and published

legend-simflow
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Snakemake workflow for orchestration of the LEGEND simulation chain
public

public

End-to-end Snakemake workflow to run Monte Carlo simulations of signal and background signatures in the LEGEND experiment and...
docs JSON Resource metadata Simulation analysis Report Snakemake uproot utils Biomolecular simulation
Free
12
permedcoe-covid19-pilot-workflow-nextflow
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PerMedCoE Covid19 Pilot workflow (Nextflow)
public

public

COVID-19 Multiscale Modelling of the Virus and Patients’ Tissue Workflow Uses multiscale simulations to predict patient-speci...
FASTQ raw sequence reads Simulation analysis Quality control report MaBoSS PhysiBoSS Snakemake Simulation experiment
Free
6
galaxy-protein-md-setup-tutorial
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Galaxy Protein MD Setup tutorial
public

public

Based on the official GROMACS tutorial . This tutorial aims to illustrate the process of setting up a simulation system c...
PDB Protein features Simulation analysis PDB ID genion BioBB-Wfs BioExcel Building Blocks tutorials: Protein MD Setup (Gromacs Version) Galaxy Gromacs NVT WorkflowHub Protein properties
Free
gromacs-dctmd-main
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gromacs-dctmd free energy calculation
public

public

Perform an ensemble of targeted MD simulations of a user-specified size using the GROMACS PULL code and calculate dcTMD free ...
Protein-ligand complex Simulation analysis Protein-ligand interaction report gromacs_mpi ChemicalToolbox Galaxy Gromacs WorkflowHub Molecular dynamics
Free