molecular modeling

The project provides Python tool-chain and shell scripts for molecular simulation workflows: preparation, running and analysing molecular dynamics (MD) simulations of bio- and organic soft condensed matter.

NAMD is a parallel molecular dynamics code for large biomolecular systems. NAMD is free with source code.

VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.

pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo

Here, we try to fit the color scheme for atoms :)

This repository contains a personal web site about various topics from physical-chemistry to programming languages.