Lu, Yingzhou

5 publications

TMLR 2026 Beyond Affinity: A Benchmark of 1d, 2D, and 3D Methods Reveals Critical Trade-Offs in Structure-Based Drug Design Kangyu Zheng, Kai Zhang, Jiale Tan, Xuehan Chen, Yingzhou Lu, Zaixi Zhang, Lichao Sun, Marinka Zitnik, Tianfan Fu, Zhiding Liang

ICLR 2026 PoseX: AI Defeats Physics-Based Methods on Protein Ligand Cross-Docking Yize Jiang, Xinze Li, Yuanyuan Zhang, Jin Han, Youjun Xu, Ayush Pandit, Zaixi Zhang, Mengdi Wang, Mengyang Wang, Chong Liu, Guang Yang, Yejin Choi, Yingzhou Lu, Wu-Jun Li, Tianfan Fu, Fang Wu, Junhong Liu

TMLR 2025 Gradient GA: Gradient Genetic Algorithm for Drug Molecular Design Debadyuti Mukherjee, Chris Zhuang, Yingzhou Lu, Tianfan Fu, Ruqi Zhang

ICLRW 2025 Gradient GA: Gradient Genetic Algorithm for Drug Molecular Design Chris Zhuang, Debadyuti Mukherjee, Yingzhou Lu, Tianfan Fu, Ruqi Zhang

ICMLW 2024 Structure-Based Drug Design Benchmark: Do 3D Methods Really Dominate? Kangyu Zheng, Yingzhou Lu, Zaixi Zhang, Zhongwei Wan, Yao Ma, Marinka Zitnik, Tianfan Fu