Software Open Access
Andersen, Casper; Armiento, Rickard; Blokhin, Evgeny; Conduit, Gareth; Dwaraknath, Shyam; Evans, Matthew L; Fekete, Adam; Gopakumar, Abhijith; Gražulis, Saulius; Hegde, Vinay; Horton, Matthew; Merkys, Andrius; Mohamed, Fawzi; Morris, Andrew; Oses, Corey; Pizzi, Giovanni; Purcell, Thomas; Rignanese, Gian-Marco; Scheffler, Matthias; Scheidgen, Markus; Talirz, Leopold; Toher, Cormac; Uhrin, Martin; Winston, Donald; Wolverton, Chris
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.
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.
Andersen et al, "OPTIMADE, an API for exchanging materials data" Sci Data 8, 217 (2021). https://doi.org/10.1038/s41597-021-00974-z