physics.comp-ph cond-mat.dis-nn cond-mat.mtrl-sci physics.chem-ph
Towards a Unified Benchmark and Framework for Deep Learning-Based Prediction of Nuclear Magnetic Resonance Chemical Shifts
Fanjie Xu Wentao Guo Feng Wang Lin Yao Hongshuai Wang Fujie Tang Zhifeng Gao Linfeng Zhang Weinan E Zhong-Qun Tian Jun Cheng