Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks

Yanqiao Zhu 0001, JeeHyun Hwang, Keir Adams, Zhen Liu, Bozhao Nan, Brock Stenfors, Yuanqi Du, Jatin Chauhan, Olaf Wiest, Olexandr Isayev, Connor W. Coley, Yizhou Sun, Wei Wang 0010. Learning Over Molecular Conformer Ensembles: Datasets and Benchmarks. In The Twelfth International Conference on Learning Representations, ICLR 2024, Vienna, Austria, May 7-11, 2024. OpenReview.net, 2024. [doi]

Abstract

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