Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts. - Fanjie Xu; Wentao Guo; Feng Wang; Lin Yao 003; Hongshuai Wang; Fujie Tang; Zhifeng Gao; Linfeng Zhang 002; Weinan E; Zhong-Qun Tian; Jun Cheng (Nat. Comput. Sci., 2025)