Learning Gradient Fields for Molecular Conformation Generation

Chence Shi, Shitong Luo, Minkai Xu, Jian Tang. Learning Gradient Fields for Molecular Conformation Generation. In Marina Meila, Tong Zhang 0001, editors, Proceedings of the 38th International Conference on Machine Learning, ICML 2021, 18-24 July 2021, Virtual Event. Volume 139 of Proceedings of Machine Learning Research, pages 9558-9568, PMLR, 2021. [doi]

Abstract

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