Many-Shot In-Context Learning for Molecular Inverse Design

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL capabilities for molecular inverse design and lead optimizat...

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Veröffentlicht in:	arXiv.org 2024-07
Hauptverfasser:	Moayedpour, Saeed, Corrochano-Navarro, Alejandro, Faryad Sahneh, Noroozizadeh, Shahriar, Koetter, Alexander, Vymetal, Jiri, Kogler-Anele, Lorenzo, Mas, Pablo, Jangjou, Yasser, Li, Sizhen, Bailey, Michael, Bianciotto, Marc, Matter, Hans, Grebner, Christoph, Hessler, Gerhard, Bar-Joseph, Ziv, Jager, Sven
Format:	Artikel
Sprache:	eng
Schlagworte:	Context Design optimization Inverse design Large language models Molecular structure Semi-supervised learning
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