WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking - Liu, Yunchao; Dong, Ha; Wang, Xin; Moretti, Rocco; Wang, Yu; Su, Zhaoqian; Gu, Jiawei; Bodenheimer, Bobby; Weaver, Charles David; Meiler, Jens; Derr, Tyler (Advances in Neural Information Processing Systems, 2024)