论文标题

aflow.org:数据库,软件和工具的网络生态系统

aflow.org: A Web Ecosystem of Databases, Software and Tools

论文作者

Esters, Marco, Oses, Corey, Divilov, Simon, Eckert, Hagen, Friedrich, Rico, Hicks, David, Mehl, Michael J., Rose, Frisco, Smolyanyuk, Andriy, Calzolari, Arrigo, Campilongo, Xiomara, Toher, Cormac, Curtarolo, Stefano

论文摘要

为了启用支持计算和实验研究的材料数据库,至关重要的是,开发既有助于访问数据的平台又提供了用于生成/分析的工具 - 所有这些都考虑了用户体验级别和使用级别需求的多样性。最近制定的公平原则(可访问,可互操作和可重复使用)建立了一个共同的框架来帮助这些努力。本文介绍了Aflow_org,这是一个开发的Web生态系统,旨在提供对Aflow数据库的合规性访问。提供图形和程序化检索方法,以确保满足所有经验级别和数据需求的可访问性。 AFLOW_ORG通过为Aflow软件的重要功能提供应用程序,超越了数据访问,可以帮助用户进行自己的计算,而无需安装整个高通量框架。还将介绍向全球和多样性观众提供富裕教程和材料科学教育的宣传承诺。

To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it - all while considering the diversity of users' experience levels and usage needs. The recently formulated FAIR principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow_org, a web ecosystem developed to provide FAIR - compliant access to the AFLOW databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow_org goes beyond data-access by providing applications to important features of the AFLOW software, assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW tutorials and materials science education to a global and diverse audiences will also be presented.

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