Fig. 1

Overview of the GES_PPI Model Architecture. The GES_PPI model combines structural and evolutionary insights for predicting ΔΔG. Initially, the protein complexes are trimmed and processed by a gated GNN to capture local structural information. Subsequently, a Graph Transformer refines this representation by learning long-range relationships. With additional features derived from the pre-trained ESM model, the comprehensive feature set is used to predict the ΔΔG, indicating the difference in stability between the wild-type and mutant protein complexes