About
ASGARD is an automation layer on top of GROMACS that runs standard post-processing analyses on molecular dynamics trajectories and produces consistent, reproducible reports.
Designed for scaling: it can iterate the same analysis pipeline across many replicas, ligands or systems with a single configuration file.
Lead authors: Alejandro Rodríguez Martínez
Key features
Standardised MD analysis
RMSD, RMSF, gyradius, H-bond, salt-bridge and contact analyses on trajectories.
Batch & replica processing
Process many trajectories with identical pipelines for fair comparison.
Reproducible reports
Generates plots and CSV outputs ready for publication or downstream ML.
Access
HPC suite
Source code on GitHub
Open source · private SaaS deployment on demand
https://github.com/bio-hpc/ASGARD →Cite this tool
Enhancing MD simulations: ASGARD’s automated analysis for GROMACS