STCRpy: a software suite for T-cell receptor structure parsing, interaction profiling, and machine learning dataset preparation.

Abstract

Computational methods to guide early-stage TCR drug discovery and TCR repertoire informatics currently under-utilize solved and predicted structure data. Here, we streamline use of these data through an open-source python package for high-throughput TCR structure handling and analysis (STCRpy), facilitating analyses such as TCR:peptide-MHC complex orientation calculation/scoring, root-mean-square-distance evaluation, interaction profiling, and machine learning dataset curation. Freely available as a Python package at https://github.com/oxpig/STCRpy.