3 papers
cs.LG2026
CryoProt: A Protein Pretraining Framework with Cross-Box Interactions on Cryo-EM Density Maps
Dan Luo, Xuan Lin, Peng Zhou +4
Despite the growing availability of cryo-electron microscopy (cryo-EM) density maps, effectively leveraging them for protein representation remains challenging. First, current meth…
cs.CL2025
Enhancing Molecular Property Prediction with Knowledge from Large Language Models
Peng Zhou, Lai Hou Tim, Zhixiang Cheng +4
Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end lear…
cs.AI2024
Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development
Tengfei Ma, Xuan Lin, Tianle Li +8
Large Language Models (LLMs) have recently demonstrated remarkable performance in general tasks across various fields. However, their effectiveness within specific domains such as…