Strong correlations were particularly evident within the PB-based approaches when evaluating on both the FEP+ dataset and the full dataset (Figure ). Probing the full dataset revealed a general decrease in the AUE and stronger correlations with experiment (Figure ). Given that the FEP+ dataset contains a higher proportion of glutamates to aspartates and no lysines, this result suggests that dataset composition plays can impact performance and should warrant consideration in future benchmarks.