Poster
in
Workshop: Challenges in Deployable Generative AI
Evaluation Metrics for Protein Structure Generation
Josh Southern · Arne Schneuing · Michael Bronstein · Bruno Correia
Keywords: [ generative model ] [ Protein Design ] [ evaluation ] [ Machine Learning ]
Generative models have become increasingly popular for sampling novel proteins. To compare and evaluate these models, we need metrics that can assess the quality of the generated structures. We propose a set of standardized metrics for benchmarking protein generation. We experimentally show that these metrics can measure differences between proteins on a distributional level, as well as quantify the novelty, diversity and designability of the generated proteins.