Zheng, Kangyu

2 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

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