2 papers
cs.LG2025
MagicDock: Toward Docking-oriented De Novo Ligand Design via Gradient Inversion
Zekai Chen, Xunkai Li, Sirui Zhang +6
De novo ligand design is a fundamental task that seeks to generate protein or molecule candidates that can effectively dock with protein receptors and achieve strong binding affini…
cs.AI2025
Multi-level Value Alignment in Agentic AI Systems: Survey and Perspectives
Wei Zeng, Hengshu Zhu, Chuan Qin +8
The ongoing evolution of AI paradigms has propelled AI research into the agentic AI stage. Consequently, the focus of research has shifted from single agents and simple application…