Efficient Evolutionary Search Over Chemical Space with Large Language Models

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Haorui Wang, Marta Skreta, Cher Tian Ser, Wenhao Gao, Lingkai Kong, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu, Yanqiao Zhu, Yuanqi Du, Alán Aspuru-Guzik, Kirill Neklyudov, Chao Zhang

Published: 2025, Last Modified: 30 Jan 2026ICLR 2025EveryoneRevisionsBibTeXCC BY-SA 4.0