FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning

Songtao Liu, Zhengkai Tu, Minkai Xu, Zuobai Zhang, Lu Lin, Rex Ying, Jian Tang, Peilin Zhao, Dinghao Wu. FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning. In Andreas Krause 0001, Emma Brunskill, KyungHyun Cho, Barbara Engelhardt, Sivan Sabato, Jonathan Scarlett, editors, International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA. Volume 202 of Proceedings of Machine Learning Research, pages 22028-22041, PMLR, 2023. [doi]

Abstract

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