pysimm is an open-source object-oriented Python package for molecular simulations. It handles data organization for particles, force field parameters, and simulation settings so you can focus on developing your simulation workflow. Create long linear polymer chains structures modeled with common atomistic force fields.
Support for Common Atomistic Force Fields
Integration with dedicated software for geometry analysis
Fortunato, M. E.; Colina, C. M. “pysimm: A Python Package for Simulation of Molecular Systems.” SoftwareX, 2017, 6, 7-12.