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Updated: Jun 9, 2025

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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使用生成对抗网络进行晶体结构预测,并采用数据驱动的潜空间融合策略

Zian Chen1, Haichao Li1, Chen Zhang1

  • 1Key Laboratory of Carbon Materials of Zhejiang Province, College of Chemistry and Materials Engineering, Wenzhou University, Wenzhou 325035, China.

Journal of chemical theory and computation
|October 25, 2024
PubMed
概括

我们开发了一个新的AI模型,GAN-DDLSF,用于晶体结构预测. 这种方法通过优化数据生成来提高准确性,显示出发现新材料的希望.

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