arxivcs.LGcs.AIq-bio.BM2026-07-15
SenCos-GEM: SENet-Calibrated and Law-of-Cosines-Constrained Geometry-Enhanced Molecular Representation for Property Prediction
Tianming Han, Li Zhang, Qi Zhao
Effective molecular representation learning is crucial for accurate molecular property prediction. Recently, numerous self-supervised learning (SSL) approaches leveraging 3D GNNs have been developed to capture comprehensive 3D structural information for drug discovery. However, e…