Okay, this repo is small clickbait because the actual code is on GitLab. 😀 We had to put it on GitLab since we needed more storage space for storing the complete outputs from several Monte Carlo runs. I'm just putting the link here to have all of my public codebases in one place.

From the GitLab repo's readme:

This repository contains code and data related to the paper: "Inverse design of viral infectivity-enhancing peptide fibrils from continuous protein-vector embeddings" by Kübra Kaygisiz, Arghya Dutta, Lena Rauch-Wirth, Christopher V. Synatschke, Jan Münch, Tristan Bereau, and Tanja Weil; Biomaterials Science (2023) DOI: https://doi.org/10.1039/D3BM00412K. Please consider citing it if you find our code useful in your research.

Have a look at it and see if it can be useful for your project!