Crystal Toolkit：一个Web应用程序框架，用于提高材料科学研究算法的可用性和可访问性
Crystal Toolkit: A Web App Framework to Improve Usability and Accessibility of Materials Science Research Algorithms
摘要：
Crystal Toolkit是一个开源工具，用于以交互方式查看，分析和转换晶体结构，分子和其他常见形式的材料科学数据。它旨在帮助初学者快速开发基于Web的应用程序，以探索他们自己的数据，或帮助开发人员使他们的研究算法可供更广泛的科学家使用，这些科学家可能没有任何计算机编程培训，但会从图形界面中受益。Crystal Toolkit附带了一个现成的组件库，可以将其组装成复杂的Web应用程序：模拟粉末和单晶衍射图案、凸包相图、Pourbaix图、电子能带结构、分析局部化学环境和对称性等。Crystal Toolkit现在正在为材料项目网站前端提供支持，提供用户友好的访问其计算材料属性数据库的功能。在未来，人们希望新的可视化可以使用Crystal Toolkit原型化，以帮助探索材料科学社区生成的新形式的数据，这反过来又可以帮助新材料科学家开发他们的数据如何表现的直觉和可能在其中发现的见解。Crystal Toolkit仍将是一个正在进行的工作，并对社区的贡献开放。
英文摘要：
Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way. It is intended to help beginners rapidly develop web-based apps to explore their own data or to help developers make their research algorithms accessible to a broader audience of scientists who might not have any training in computer programming and who would benefit from graphical interfaces. Crystal Toolkit comes with a library of ready-made components that can be assembled to make complex web apps: simulation of powder and single crystalline diffraction patterns, convex hull phase diagrams, Pourbaix diagrams, electronic band structures, analysis of local chemical environments and symmetry, and more. Crystal Toolkit is now powering the Materials Project website frontend, providing user-friendly access to its database of computed materials properties. In the future, it is hoped that new visualizations might be prototyped using Crystal Toolkit to help explore new forms of data being generated by the materials science community, and that this in turn can help new materials scientists develop intuition for how their data behaves and the insights that might be found within. Crystal Toolkit will remain a work-in-progress and is open to contributions from the community.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
