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Updated: May 20, 2025

Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
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Published on: March 1, 2022

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一个微调的大型语言模型基于分子动力学代理的代码生成,以获得材料热力学参数.

Zhuofan Shi1,2,3, Chunxiao Xin1,2,3, Tong Huo2,3,4

  • 1School of Software and Microelectronics, Peking University, Beijing, 102600, China.

Scientific reports
|March 26, 2025
PubMed
概括

本研究介绍了分子动力学代理 (MDAgent),这是一个人工智能框架,使用大型语言模型自动化材料科学模拟代码生成. MDAgent显著减少了任务时间,并改善了用于材料发现的代码实现.

关键词:
代理代理人 代理人 代理人法学士 (LLM) 是一个专业.材料科学是一种材料科学.

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