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Related Experiment Video

Updated: Jun 5, 2026

An Open Source Technology Platform to Manufacture Hydrogel-Based 3D Culture Models in an Automated and Standardized Fashion

An Open Source Technology Platform to Manufacture Hydrogel-Based 3D Culture Models in an Automated and Standardized Fashion

Published on: March 31, 2022

optimade-maker: automated generation of interoperable materials APIs from static datasets.

Kristjan Eimre^1,2, Matthew L Evans^3,4,5, Bud Macaulay¹

¹PSI Center for Scientific Computing, Theory and Data 5232 Villigen PSI Switzerland giovanni.pizzi@psi.ch.

Digital Discovery

|June 4, 2026

Summary

This summary is machine-generated.

A new toolkit, optimade-maker, automates the creation of APIs for atomistic materials data. This enhances data sharing and interoperability across diverse databases, accelerating materials discovery.

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Area of Science:

Materials Science
Condensed Matter Physics
Computational Chemistry

Background:

Atomistic structural data is crucial for materials science, physics, and chemistry.
Digitized data is spread across various repositories, hindering interoperability.
The OPTIMADE specification aims to standardize API access to materials data.
Deploying OPTIMADE services is technically challenging for data providers.

Purpose of the Study:

To introduce optimade-maker, a toolkit for automated generation of OPTIMADE-compliant APIs.
To lower the technical barrier for data providers to publish interoperable materials data.
To facilitate FAIR (Findable, Accessible, Interoperable, Reusable) data practices in materials science.

Main Methods:

Developed optimade-maker, a lightweight toolkit for API generation.
Implemented data conversion to a standardized OPTIMADE representation.
Supported diverse raw datasets and enabled rapid API deployment (local and production).
Integrated with Materials Cloud Archive for automated API publishing.
Created data transformation pipelines for CSD and ICSD databases.

Main Results:

optimade-maker successfully automates the creation of OPTIMADE APIs from raw data.
Automated service on Materials Cloud Archive enables immediate data discoverability and interoperability.
Unified access to CSD and ICSD data is achieved through the OPTIMADE framework.
The toolkit supports a wide range of raw datasets and deployment scenarios.

Conclusions:

optimade-maker significantly reduces the technical burden of creating compliant materials data APIs.
It promotes a more scalable and FAIR materials data ecosystem.
Enables seamless integration of community-contributed and curated databases.
Accelerates data-driven materials discovery through enhanced interoperability.