MolAR:使RustMD

Semen Yesylevskyy1,2,3

  • 1Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague, Czech Republic.

PubMed
概括

这项研究介绍了MolAR,这是一个新的内存安全库,用于分子动力学 (MD) 模拟分析,编写在Rust. MolAR为分子建模中的计算任务提供了更好的性能和开发速度.

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