MotifBench: A standardized protein design benchmark for motif-scaffolding problems скачать в хорошем качестве

MotifBench: A standardized protein design benchmark for motif-scaffolding problems

Speaker: Zhuoqi Zheng Motif-scaffolding problems is a central task in computational protein design, which is to identify diverse protein scaffolds while maintaining motifs that confer a desired biochemical function. Significant recent progress on motif-scaffolding has been made due to computational evaluation with reliable protein structure and fixed backbone design methods. However, significant variability in evaluation strategies across publications has hindered comparability of results, challenged reproducibility and impeded robust progress. In response, we introduce MotifBench, comprising (1) a precisely specified pipeline and evaluation metrics, (2) a col lection of 30 benchmark problems, and (3) an implementation of this benchmark and leaderboard. The MotifBench test cases are more difficult compared to earlier benchmarks and include protein design problems for which solutions are known but on which, to the best of our knowledge, start-of-the-art methods fail to identify any solution.