Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs

Rui Jiao, Jiaqi Han, Wenbing Huang 0001, Yu Rong, Yang Liu 0005. Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs. In Brian Williams 0001, Yiling Chen 0001, Jennifer Neville, editors, Thirty-Seventh AAAI Conference on Artificial Intelligence, AAAI 2023, Thirty-Fifth Conference on Innovative Applications of Artificial Intelligence, IAAI 2023, Thirteenth Symposium on Educational Advances in Artificial Intelligence, EAAI 2023, Washington, DC, USA, February 7-14, 2023. pages 8096-8104, AAAI Press, 2023. [doi]

Authors

Rui Jiao

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Jiaqi Han

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Wenbing Huang 0001

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Yu Rong

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Yang Liu 0005

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