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This project aims to provide an object-relational database like frontend to both the w7x archive as well as the logbook.

Common python modules that can be shared by parsers,....

As a central repository, here the workflows are documented. A guide for development of pyiron workflows can be also added here.

local version of https://github.com/atztogo/phonopy with some fixes not yet in the upstream

fork of passport-saml to support the extra info of the NOMAD identity provider (just a quick hack done by Harsha, should probably be replaced)

Parser of the NOMAD Lab CoE for Wien2K

Parser for the vasp code

NOMAD Laboratory parser for the TURBOMOLE program

NOMAD parser for Tinker

NOMAD Lab CoE parser for SIESTA

Parser for quasi harmonic properties

quantum espresso parser

NOMAD Lab parser for QBox