2 papers
cs.LG2026
Multimodal Molecular Representation Learning with Graph Neural Networks, Deep & Cross Networks, and SMILES Embeddings
Qiwei Han, Chi Zhou, Ruobing Wang +1
Molecular property prediction often relies on isolated data modalities, where continuous 3D graph neural networks (GNNs) struggle to efficiently capture long-range topological depe…
cs.LG2026
The limits of bio-molecular modeling with large language models : a cross-scale evaluation
Yaxin Xu, Yue Zhou, Tianyu Zhao +2
The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecu…