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NOMAD Utility Workflows

Authors: Rudzinski, Joseph F.; Albino, Andrea; Bereau, Tristan; Daelman, Nathan; Ladines, Alvin N.; Mohr, Bernadette; Pedersen, Jesper; +1 Authors

NOMAD Utility Workflows

Abstract

`nomad-utility-workflows` is a utilities module for interfacing with the NOMAD software (https://zenodo.org/doi/10.5281/zenodo.8366162) within workflows, e.g., via a workflow manager, including python API functions for uploading to NOMAD and querying the repository as well as automated generation of NOMAD custom workflow yaml files.

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