High performance computing is leading to unprecedented volumes of data. Relational databases offer a robust and scalable model for storing and analyzing scientific data. However, these features do not come without a cost—significant design effort is required to build a functional and efficient repository. Modeling protein simulation data in a relational database presents several challenges: The data captured from individual simulations are large, multidimensional, and must integrate with both simulation software and external data sites. Here, we present the dimensional design and relational implementation of a comprehensive data warehouse for storing and analyzing molecular dynamics simulations using SQL Server.

中文翻译：

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关系模型中的蛋白质模拟数据

高性能计算正在导致前所未有的数据量。关系数据库为存储和分析科学数据提供了强大且可扩展的模型。然而，这些功能并不是没有成本的——需要大量的设计工作来构建一个功能强大的高效存储库。在关系数据库中对蛋白质模拟数据建模提出了几个挑战： 从单个模拟中捕获的数据是大的、多维的，并且必须与模拟软件和外部数据站点集成。在这里，我们展示了使用 SQL Server 存储和分析分子动力学模拟的综合数据仓库的维度设计和关系实现。