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Large Language Models (LLMs) have demonstrated remarkable potential in scientific research, particularly in chemistry-related tasks such as molecular design, reaction prediction, and property estimation.
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Autonomous chemical research with large language models
Daniil A. Boiko, Robert MacKnight, Ben Kline, Gabe Gomes, et al. 2023 · 2023
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Chemcrow: Augmenting large-language models with chemistry tools
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Unifying molecular and textual representations via multi-task language modelling
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What can large language models do in chemistry? a comprehensive benchmark on eight tasks
Taicheng Guo, Kehan Guo, Bozhao Nan, Zhenwen Liang, Zhichun Guo, Nitesh V. Chawla, Olaf Wiest, and Xiangliang Zhang. 2023 · 2023
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MolXPT: Wrapping molecules with text for generative pre-training
Zequn Liu, Wei Zhang, Yingce Xia, Lijun Wu, Shufang Xie, Tao Qin, Ming Zhang, and Tie-Yan Liu. 2023 · 2023
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Emmanuel Noutahi, Cristian Gabellini, Michael Craig, Jonathan S. C Lim, and Prudencio Tossou. 2023 · 2023
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Toolformer: Language models can teach themselves to use tools
Timo Schick, Jane Dwivedi-Yu, Roberto Dessì, Roberta Raileanu, Maria Lomeli, Luke Zettlemoyer, Nicola Cancedda, and Thomas Scialom. 2023 · 2023
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