PyTorch Frustratometer: An Ultra-fast, Parallelized Tool for Proteome-Scale Local Energetic Frustration Analysis
Eli J. Draizen, Hana Jaafari, Carlos Bueno, Arnau Llaberia, Finley Clark, Ezequiel A. Galpern, Franco L. Simonetti, Maria I. Freiberger, Peter G. Wolynes, Diego U. Ferreiro, R. Gonzalo Parra
The paper introduces a PyTorch-based tool for fast proteome-scale local frustration analysis, achieving 70-13,000x speedup over the original FrustratometeR.
bioRxiv · Nov 9, 2026 · PreprintBioinformatics