To address these limitations, we introduce a novel framework: the Molecular Merged Hypergraph Neural Network (MMHNN). MMHNN ...

More information: Daniil A. Boiko et al, Advancing molecular machine learning representations with stereoelectronics-infused molecular graphs, Nature Machine Intelligence (2025).

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks.