NOMAD CoE and Laboratory

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100 repositories

atomistic-parsers
Public
Python
•
Apache License 2.0
•5•7•25•6•Updated Dec 29, 2025Dec 29, 2025
electronic-parsers
Public
Python
•
Apache License 2.0
•15•23•44•13•Updated Dec 18, 2025Dec 18, 2025
workflow-parsers
Public
Python
•
Apache License 2.0
•3•5•7•5•Updated Dec 5, 2025Dec 5, 2025
greenX
Public
Library for Green’s function based electronic structure theory calculations
fortran greens-functions exascale
Fortran
•
Apache License 2.0
•14•28•16•0•Updated Nov 11, 2025Nov 11, 2025
database-parsers
Public
Python
•
Apache License 2.0
•1•0•0•0•Updated Nov 3, 2025Nov 3, 2025
simulation-parsers
Public
Python
•
Apache License 2.0
•1•0•2•1•Updated Oct 30, 2025Oct 30, 2025
nomad-normalizer-plugin-bandstructure
Public
Python
•
Apache License 2.0
•0•1•0•0•Updated Oct 30, 2025Oct 30, 2025
nomad-normalizer-plugin-dos
Public
Python
•
Apache License 2.0
•0•0•0•0•Updated Oct 30, 2025Oct 30, 2025
nomad-normalizer-plugin-simulation-workflow
Public
Python
•
Apache License 2.0
•0•0•0•1•Updated Oct 30, 2025Oct 30, 2025
nomad-normalizer-plugin-soap
Public
Python
•
Apache License 2.0
•1•0•0•0•Updated Oct 30, 2025Oct 30, 2025
nomad-normalizer-plugin-spectra
Public
Python
•
Apache License 2.0
•0•0•0•0•Updated Oct 30, 2025Oct 30, 2025
nomad-normalizer-plugin-system
Public
Python
•
Apache License 2.0
•1•0•0•0•Updated Oct 30, 2025Oct 30, 2025
nomad-schema-plugin-simulation-workflow
Public
Python
•
Apache License 2.0
•1•2•4•2•Updated Oct 30, 2025Oct 30, 2025
nomad-schema-plugin-run
Public
Python
•
Apache License 2.0
•0•1•2•0•Updated Oct 30, 2025Oct 30, 2025
matid
Public
MatID is a Python package for identifying and analyzing atomistic systems based on their structure.
Python
•
Apache License 2.0
•2•13•0•0•Updated Aug 26, 2025Aug 26, 2025
pyzeo
Public
Python interface for the zeo++ package
C++
•
Apache License 2.0
•6•15•1•0•Updated Aug 15, 2025Aug 15, 2025
nomad-parser-eelsdb
Public archive
This is a NOMAD parser for EELSDB. It will read EELSDB input and output files and provide all information in NOMAD's unified Metainfo based Archive format.
Python
•
Apache License 2.0
•2•0•2•1•Updated Nov 13, 2024Nov 13, 2024
nomad-dos-fingerprints
Public
Python
•
Apache License 2.0
•1•0•0•0•Updated Sep 11, 2024Sep 11, 2024
materia
Public
JavaScript
•
Apache License 2.0
•2•6•1•0•Updated Sep 5, 2024Sep 5, 2024
nomad-parser-wannier90
Public archive
NOMAD parser plugin for Wannier90 input/output files.
Python
•
Apache License 2.0
•13•0•0•0•Updated Jul 4, 2024Jul 4, 2024
nomad-parser-yambo
Public archive
NOMAD parser plugin for YAMBO input/output files.
Python
•
Apache License 2.0
•13•0•0•0•Updated Jul 2, 2024Jul 2, 2024
nomad-parser-h5md
Public archive
[ARCHIVED] Code moved to https://github.com/FAIRmat-NFDI/nomad-parser-h5md
Python
•
Apache License 2.0
•13•1•1•1•Updated Jun 24, 2024Jun 24, 2024
nomad-discord-bot
Public
Python
•
Apache License 2.0
•0•0•0•0•Updated Apr 25, 2024Apr 25, 2024
doctoral_school_cea_bruyeres_2024
Public
Repository for the doctoral school at the CEA Bruyeres-le-chatel (France), 29 Jan - 2 Feb 2024, "Towards ab initio simulations on exascale supercomputer"s
0•0•0•0•Updated Apr 17, 2024Apr 17, 2024
nomad-parser-molpro-plugin
Public
Standalone NOMAD plugin for parsing MOLPRO calculation files
Python
•
Apache License 2.0
•0•1•1•0•Updated Mar 12, 2024Mar 12, 2024
imsi-workshop
Public
0•0•0•0•Updated Mar 11, 2024Mar 11, 2024
nomad-normalizer-plugin-example
Public
Python
•
Apache License 2.0
•1•1•0•0•Updated Mar 2, 2024Mar 2, 2024
nomad-normalizer-plugin-atomic-descriptors
Public
Python
•
Apache License 2.0
•0•0•0•1•Updated Mar 1, 2024Mar 1, 2024
nomad-parser-msspec
Public
NOMAD parser plugin for MsSpec input/output files.
Python
•
Apache License 2.0
•0•1•1•0•Updated Feb 8, 2024Feb 8, 2024
nomad-parser-plugin-abacus
Public
Python
•
Apache License 2.0
•0•0•0•0•Updated Dec 8, 2023Dec 8, 2023