DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise Annotations.

Yuanfeng Ji, Lu Zhang, Jiaxiang Wu, Bingzhe Wu, Lanqing Li, Long-Kai Huang, Tingyang Xu, Yu Rong, Jie Ren, Ding Xue, Houtim Lai, Wei Liu, Junzhou Huang, Shuigeng Zhou, Ping Luo, Peilin Zhao, Yatao Bian

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