2 papers
cs.LG2026
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 h…
cs.LG2026
Beyond SBDD: Geometric Deep Learning in Polypharmacology and Multi-target Drug Design
Tianming Han, Zhijie Pan, Wenchi Ge +1
The traditional "one drug, one target" paradigm of structure-based drug design (SBDD) frequently proves inadequate for treating multifactorial diseases such as cancer and neurodege…