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cs.LG2025
LLM: Multi-view Molecular Representation Learning with Large Language Models
Jiaxin Ju, Yizhen Zheng, Huan Yee Koh +2
Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods,…
q-bio.BM2025
Collaborative Expert LLMs Guided Multi-Objective Molecular Optimization
Jiajun Yu, Yizhen Zheng, Huan Yee Koh +3
Molecular optimization is a crucial yet complex and time-intensive process that often acts as a bottleneck for drug development. Traditional methods rely heavily on trial and error…