Guide to computational schema plugins

NOMAD uses Schemas to define the data structures and organization of Processed Data. Schemas can be defined in yaml or python formats. How to write a schema describes the basics of writing a schema, in the yaml format. Computational schemas in NOMAD have historically been written in python. There are several existing computational schema plugin projects for reference:

• nomad-schema-plugin-run: contains schemas for standard processed computational data, stored in the run section within the NOMAD archive.

• nomad-schema-plugin-simulation-data: contains schemas for standard processed computational data, stored in the data section within the NOMAD archive.

• nomad-schema-plugin-simulation-workflow: contains schemas for standard computational workflows defined in NOMAD.

• nomad-normalizer-plugin-simulation-workflow: contains schemas for standard computational "normalized" data.

• nomad-schema-plugin-example: contains an example for NOMAD schema plugins. It should be forked to create actual plugins.

Guide to Computational MetaInfo describes how these schemas are used to organize standard computational data within an Entry in the NOMAD repository.