Software

PySoftK: A python software package with tools for creating complex polymer models and also to facilitate the use of high-throughput calculations. Website, paper & summary.

Lipyphilic: A python toolkit for the analysis of lipid membrane simulations. Website, paper & summary.

nanoCISC: A python analysis code to calculate the intrinsic surfaces and density profiles of quasi-spherical nanoparticles. Website & paper.

GLE-KCL:  Routines to be used with the LAMMPS MD engine to apply a Generalised Langevin Equation-based thermostat to accurately model non-equilibrium heat transport within classical molecular dynamics simulations.  Website & tutorial.

Lorenz Lab Github page: A collection of other tools that have been developed during the course of other research projects carried out in the group can be found here.