Fig. 3

Scatterplot of model-predicted probabilities with experimental ΔΔG values for four representative complexes (wildtypes and mutations) using the out-of-distribution test set. Each of the targets in the independent test sets have a similarity score less than 0.21 relative to each other. The x-axis represents −ΔΔG value, which positively correlates with the affinity strength of each sample, while the Y-axis represents model-predicted probabilities. The correlation was quantified by Pearson’s correlation values and Spearman’s correlation values, respectively.