BioinformaticsActa Physico-Chimica SinicaPeer-reviewed
MolUNet++: Adaptive-grained Explicit Substructure and Interaction Aware Molecular Representation Learning
Fanding Xu, Zhiwei Yang, Sirui Wu…·Jiangang Long
MolUNet++ improves molecular representation learning by explicitly analyzing substructures and interactions, outperforming traditional GNN models in prediction tasks and offering interpretable insights.