2 papers
q-bio.BM2025
Graph Neural Networks in Modern AI-aided Drug Discovery
Odin Zhang, Haitao Lin, Xujun Zhang +9
Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on m…
q-bio.BM2025
Discovery of novel antimicrobial peptides with notable antibacterial potency by a LLM-based foundation model
Jike Wang, Jianwen Feng, Yu Kang +16
Large language models (LLMs) have shown remarkable advancements in chemistry and biomedical research, acting as versatile foundation models for various tasks. We introduce AMP-Desi…