yangwangmadrid/Autodesm: Autodesm v1.0 — Code and Datasets for Strain-Energy Predictions Using Autodesmotic Reactions

This release provides the full implementation of the Autodesmotic model introduced in the associated manuscript, together with the complete datasets required to reproduce all computational results. The release is intended to ensure transparency, reproducibility, and long-term accessibility via Zenodo DOI archiving.

Full Changelog: https://github.com/yangwangmadrid/Autodesm/commits/v1.0