Tagged to mark the state of code as used in the work here:
Johnson, Sean R., Xiaozhi Fu, Sandra Viknander, Clara Goldin, Sarah Monaco, Aleksej Zelezniak, and Kevin K. Yang. “Computational Scoring and Experimental Evaluation of Enzymes Generated by Neural Networks.” bioRxiv, March 4, 2023. https://doi.org/10.1101/2023.03.04.531015.