DrugOOD: Out-of-Distribution (OOD) Dataset Curator and Benchmark for AI-aided Drug Discovery - A Focus on Affinity Prediction Problems with Noise Annotations.
Yuanfeng JiLu ZhangJiaxiang WuBingzhe WuLong-Kai HuangTingyang XuYu RongLanqing LiJie RenDing XueHoutim LaiShaoyong XuJing FengWei LiuPing LuoShuigeng ZhouJunzhou HuangPeilin ZhaoYatao BianPublished in: CoRR (2022)