msmbuilder:生物分子动力学统计模型

上传者: 42107374 | 上传时间: 2024-04-30 19:04:32 | 文件大小: 2.28MB | 文件类型: ZIP
MSMBuilder的 MSMBuilder是一个python软件包,它为高维时间序列实现了一系列统计模型。 它特别专注于生物分子动力学的原子模拟的分析。 例如,MSMBuilder已用于通过分子动力学(MD)模拟对蛋白质折叠和构象变化进行建模。 LGPL(v2.1或更高版本)提供MSMBuilder。 功能包括: 将特征提取到二面体,联系方式等中 具有多种算法的几何聚类。 使用时间结构独立成分分析(tICA)和主成分分析(PCA)进行降维。 马尔可夫状态模型(MSM)的构造 率矩阵MSM构造 隐藏马尔可夫模型(HMM)构造 时标和过渡路径分析。 在查看文档,并加入。 有关MSMBuilder的更广泛概述,请看一下我们的。 安装 对于优选的安装机构msmbuilder与conda : $ conda install -c omnia msmbuilder 如果您没有cond

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