https://github.com/Materials-Consortia/OPTIMADE

Specification of a common REST API for access to materials databases
https://github.com/Materials-Consortia/OPTIMADE

materials-databases optimade optimade-api optimade-specification

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Specification of a common REST API for access to materials databases

• Host: GitHub
• URL: https://github.com/Materials-Consortia/OPTIMADE
• Owner: Materials-Consortia
• License: cc-by-4.0
• Created: 2018-01-08T23:32:29.000Z (almost 7 years ago)
• Default Branch: develop
• Last Pushed: 2024-08-28T09:04:20.000Z (4 months ago)
• Last Synced: 2024-11-08T23:41:50.544Z (about 1 month ago)
• Topics: materials-databases, optimade, optimade-api, optimade-specification
• Language: Makefile
• Homepage: https://optimade.org/specification
• Size: 4.44 MB
• Stars: 83
• Watchers: 21
• Forks: 37
• Open Issues: 80
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • Contributing: .github/CONTRIBUTING.md
  • License: LICENSE
  • Authors: AUTHORS

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README

        








The OPTIMADE Specification



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](optimade.rst): The API specification document.

* [specification.optimade.org](https://specification.optimade.org): HTML builds of the different specification versions.

* [schemas.optimade.org](https://schemas.optimade.org): Machine-readable schemas for property and server definitions.

* [AUTHORS](AUTHORS): List of contributors.

* [CHANGELOG](CHANGELOG.md): The release notes for each version of the specification.

* [optimade.org](https://www.optimade.org): Public OPTIMADE web site

* [OPTIMADE wiki](https://github.com/Materials-Consortia/OPTIMADE/wiki): Information for developers

## For developers

The [master branch of the repository](https://github.com/Materials-Consortia/OPTIMADE/tree/master) 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](https://github.com/Materials-Consortia/OPTIMADE/tree/develop) 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.

## Licensing of the unit definitions database `definitions.units`

The OPTIMADE standard refers to a specific version of the `definitions.units` database included with the source distribution of GNU Units.

This file is included in the OPTIMADE repository under the subdirectory [external/GNU_Units](external/GNU_Units).

The file is licensed separately from other files in the repository: it is available under the GNU General Public License (GPL).

Full information on how the file is licensed is available in the [header of the file](external/GNU_Units/definitions.units) and the license file included in that directory, [COPYING](external/GNU_Units/COPYING).

The following does not constitute legal advice; however, we believe implementations under other licenses can use this file if:

- The file is distributed separated from other source files in a way that makes it clear that it is part of the GNU Units software and is licensed under the GPL.

  (For example, as done in this repository: in a separate subdirectory with its own readme and license files.)

- The software reads the file during program execution, e.g., at startup (as opposed to, e.g., having the file compiled or linked into a binary program distributed to end users).

Alternatively, the software using the file could itself be licensed in a way compatible with the GNU GPL.

## How to cite

If you use OPTIMADE to access or host data, we kindly ask that you cite our papers accompanying the version 1.0 and 1.2 releases:

- Andersen *et al*, OPTIMADE, an API for exchanging materials data, *Sci. Data* **8**, 217 (2021) [10.1038/s41597-021-00974-z](https://doi.org/10.1038/s41597-021-00974-z)

- Evans *et al*, Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange, *Digital Discovery* (2024) [10.1039/D4DD00039K](https://doi.org/10.1039/D4DD00039K)

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](https://doi.org/10.5281/zenodo.4195050)