Drug design
Grid-Box-Generator
Generate or define a grid box for AutoDock Vina and AutoDock4 — blind or targeted docking — from a Flask web app, with no MGLTools dependency.
Projects
Progress with passion.
Open-source tools for docking, dynamics, free-energy prediction, and reproducible pipelines — most of them built because the alternative didn't exist yet.
Research software
Where the science lives.
Web tools
Things you can click.
Molecular dynamics
Gromacs-Command-Finder
Search GROMACS-specific commands across topology, trajectory analysis, PME, and more.
●AI-driven drug discovery●Molecular dynamics●Free-energy perturbation●AlphaFold3 · Boltz2●Multi-omics●Nextflow · Snakemake●GPU / HPC●Agentic scientific tooling●Protein design●Variant calling