openmm:OpenMM是使用高性能GPU代码进行分子模拟的工具包

上传者: 42157166 | 上传时间: 2023-03-26 19:50:26 | 文件大小: 18.9MB | 文件类型: ZIP
OpenMM:高性能分子动力学库 介绍 是用于分子模拟的工具包。 它既可以用作运行模拟的独立应用程序,也可以用作您从自己的代码调用的库。 它提供了极大的灵活性(通过定制力量和集成商),开放性和高性能(尤其是在最近的GPU上),这些特性使其在仿真代码中真正独一无二。 获得帮助 需要帮忙? 查看和。

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