可能性的生成变压器语言模型用于分子的生成设计

Lai Wei1, Nihang Fu1, Yuqi Song1

  • 1Department of Computer Science and Engineering, University of South Carolina, Columbia, SC, 29201, USA.

Journal of cheminformatics
|September 25, 2023
PubMed
概括

我们介绍了生成分子变压器 (GMTransformer),这是一种用于设计有机分子的新型AI模型. 这种可解释,数据高效的模型学习分子语法,以产生高质量的新分子.

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