WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
Published in NeurIPS, Datasets and Benchmarks Track, 2024
Liu, Yunchao (Lance)∗, Ha Dong∗, Xin Wang∗, Rocco Moretti, Yu Wang, Zhaoqian Su, Jiawei Gu, Bobby Bodenheimer, Charles David Weaver, Jens Meiler, and Tyler Derr