OPTIMADE

The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperational by developing a common REST API.

This repository contains the specification of the OPTIMADE API.

• optimade.rst: The API specification.
• AUTHORS: List of contributors.
• CHANGELOG: The release notes for each version of the specification.
• optimade.org: Public OPTIMADE web site
• OPTIMADE wiki: Information for developers

The subdirectory schemas/ contains OpenAPI schemas for the main OPTIMADE API and index meta-database as implemented by the optimade-python-tools repository. Note: These schemas are an approximation of the full human-readable specification and may be missing certain constraints. Furthermore, they may not be up to date in the develop branch of this repository.

For developers

The master branch of the repository is at the latest release or pre-release version of the specification. Versions without a version number suffix (alpha, beta, release candidates and similar) indicate a stable release.

The develop branch of the repository contains the present in-development version of the specification.

API and client implementations are encouraged to support the latest release or pre-release of the specification. If this is a pre-release, implementations are also encouraged to support the latest stable release.

How to cite

If you use OPTIMADE to access or host data, we kindly ask that you cite our paper:

• Andersen et al, OPTIMADE, an API for exchanging materials data, Sci. Data 8, 217 (2021) 10.1038/s41597-021-00974-z

To cite an individual version of the specification, please use the versioned records on Zenodo:

• Andersen et al, The OPTIMADE Specification, Zenodo, 10.5281/zenodo.4195050