1 / 10
MolEmb: Multimodal Large Language Models Can Be Strong Molecular Embedding Models
FM4LS@ICML 2026
MolEmb asks whether multimodal large language models can become the embedding layer for molecular intelligence, rather than only serving as generative scientific assistants. By conditioning molecular representations on images, SMILES, and natural-language scientific intent, it moves molecular embedding from fixed-vector encoding toward context-aware retrieval and decision support.
Key Insight
MLLMs can be repositioned as context-aware molecular embedding backbones, not only as generative scientific assistants.