Brief description of tools/files: A general, flexible, and easy-to-use Python program for automated generation of molecular structure and topology of polymer-grafted hybrid materials for MD simulations purposes, ranging from polymer brushes grafted to hard substrates to densely grafted bottlebrush polymers.
Link: GitHub - nanogchen/polyGraft: A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures
Contact person (name and email address): Guang Chen, nanogchen@gmail.com
How the work has been tested/reviewed: Chen, G., J. Comput. Chem. 2023, 1. https://doi.org/10.1002/jcc.27206