Atomistic structural data are central to materials science, condensed matter physics, and chemistry, and are increasingly digitised across diverse repositories and databases. Interoperable access to these heterogeneous data sources enables reusable clients and tools, and is essential for cross-database analyses and data-driven materials discovery. Toward this aim, the OPTIMADE (Open Databases Integration for Materials Design) specification defines a standard REST API for atomistic structures and related properties. However, deploying and maintaining compliant services remains technically demanding and poses a significant barrier for many data providers. Here, we present optimade-maker, a lightweight toolkit for the automated generation of OPTIMADE-compliant APIs directly from raw atomistic structure and property data. The toolkit supports a wide range of raw datasets, enables conversion to a standardised OPTIMADE data representation, and allows for rapid deployment of APIs in both local and production environments. We further demonstrate it through an automated service on the Materials Cloud Archive, which automatically creates and publishes OPTIMADE APIs for contributed datasets, enabling immediate discoverability and interoperability. In addition, we implement data transformation pipelines for the Cambridge Structural Database (CSD) and the Inorganic Crystal Structure Database (ICSD), enabling unified access to these curated resources through the OPTIMADE framework. By lowering the technical barriers to interoperable data publication, optimade-maker represents an important step toward a scalable, FAIR materials data ecosystem integrating both community-contributed and curated databases.

翻译：原子结构数据是材料科学、凝聚态物理和化学领域的核心数据，正越来越多地以数字化形式分布在各类存储库和数据库中。对这些异构数据源的可互操作访问能够支持可复用的客户端和工具，对于跨数据库分析和数据驱动的材料发现至关重要。为此，OPTIMADE（开放材料设计数据库集成）规范定义了一种用于原子结构及相关属性的标准REST API。然而，部署和维护符合该规范的服务仍具有较高的技术门槛，对许多数据提供者构成重大障碍。本文提出optimade-maker，一个轻量级工具包，可直接从原始原子结构及属性数据自动生成符合OPTIMADE规范的API。该工具包支持多种原始数据集，能够将其转换为标准化的OPTIMADE数据表示，并支持在本地和生产环境中快速部署API。我们进一步通过Materials Cloud Archive上的自动化服务进行了演示，该服务可自动为贡献的数据集创建并发布OPTIMADE API，实现数据的即时可发现性和互操作性。此外，我们为剑桥结构数据库（CSD）和无机晶体结构数据库（ICSD）实现了数据转换流水线，从而通过OPTIMADE框架实现对这两个精选资源的统一访问。通过降低可互操作数据发布的技术门槛，optimade-maker向着构建一个可扩展、符合FAIR原则、融合社区贡献与精选数据库的材料数据生态系统迈出了重要一步。