Lu Zhang

DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery - A Focus on Affinity Prediction Problems with Noise Annotations

Junzhou Huang, Yu Rong, Shuigeng Zhou, 2022, ArXiv.

Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel

Zhanke Zhou, Jiangchao Yao, Lu Zhang, 2023, 2311.01276.