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    106 repositories

    • greenX

      Public
      Library for Green’s function based electronic structure theory calculations
      fortrangreens-functionsexascale
      Fortran
      •
      Apache License 2.0
      •11•23•15•1•Updated Mar 9, 2025Mar 9, 2025

    • nomad

      Public
      NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.
      JavaScript
      •
      Apache License 2.0
      •21•83•27•1•Updated Mar 7, 2025Mar 7, 2025

    • electronic-parsers

      Public
      Python
      •
      Apache License 2.0
      •11•19•39•11•Updated Mar 6, 2025Mar 6, 2025

    • nomad-simulations

      Public
      A NOMAD plugin containing base sections for simulations.
      Python
      •
      Apache License 2.0
      •1•6•37•12•Updated Mar 5, 2025Mar 5, 2025

    • nomad-schema-plugin-run

      Public
      Python
      •
      Apache License 2.0
      •0•1•2•0•Updated Mar 4, 2025Mar 4, 2025

    • nomad-normalizer-plugin-bandstructure

      Public
      Python
      •
      Apache License 2.0
      •0•1•0•0•Updated Mar 4, 2025Mar 4, 2025

    • atomistic-parsers

      Public
      Python
      •
      Apache License 2.0
      •4•7•20•3•Updated Feb 26, 2025Feb 26, 2025

    • nomad-parser-magres

      Public
      NOMAD parser plugin for magres format files.
      Python
      •
      Apache License 2.0
      •14•1•0•1•Updated Feb 25, 2025Feb 25, 2025

    • matid

      Public
      MatID is a Python package for identifying and analyzing atomistic systems based on their structure.
      Python
      •
      Apache License 2.0
      •2•11•0•0•Updated Feb 21, 2025Feb 21, 2025

    • nomad-schema-plugin-simulation-workflow

      Public
      Python
      •
      Apache License 2.0
      •1•1•1•1•Updated Feb 20, 2025Feb 20, 2025

    • workflow-parsers

      Public
      Python
      •
      Apache License 2.0
      •3•4•7•2•Updated Feb 20, 2025Feb 20, 2025

    • database-parsers

      Public
      Python
      •
      Apache License 2.0
      •1•0•0•0•Updated Feb 18, 2025Feb 18, 2025

    • nomad-normalizer-plugin-simulation-workflow

      Public
      Python
      •
      Apache License 2.0
      •0•0•0•2•Updated Nov 20, 2024Nov 20, 2024

    • nomad-normalizer-plugin-spectra

      Public
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated Nov 20, 2024Nov 20, 2024

    • nomad-normalizer-plugin-system

      Public
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated Nov 20, 2024Nov 20, 2024

    • nomad-normalizer-plugin-dos

      Public
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated Nov 20, 2024Nov 20, 2024

    • nomad-parser-eelsdb

      Public
      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-parser-example

      Public
      An example parser that can be forked to bootstrap new parsers for NOMAD.
      Python
      •
      Apache License 2.0
      •8•3•0•0•Updated Oct 9, 2024Oct 9, 2024

    • simulation-parsers

      Public
      Python
      •
      Apache License 2.0
      •1•0•2•2•Updated Sep 18, 2024Sep 18, 2024

    • nomad-normalizer-plugin-soap

      Public
      Python
      •
      Apache License 2.0
      •1•0•0•1•Updated Sep 18, 2024Sep 18, 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

    • pyzeo

      Public
      Python interface for the zeo++ package
      C++
      •
      Apache License 2.0
      •5•9•0•0•Updated Aug 20, 2024Aug 20, 2024

    • nomad-parser-wannier90

      Public archive
      NOMAD parser plugin for Wannier90 input/output files.
      Python
      •
      Apache License 2.0
      •14•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
      •14•0•0•0•Updated Jul 2, 2024Jul 2, 2024

    • nomad-parser-h5md

      Public
      This is an example for NOMAD parser plugins. It should be forked to create actual plugins.
      Python
      •
      Apache License 2.0
      •14•1•1•1•Updated Jun 24, 2024Jun 24, 2024

    • nomad-schema-plugin-example

      Public
      This is an example for NOMAD schema plugins. It should be forked to create actual plugins.
      Python
      •
      Apache License 2.0
      •17•14•6•0•Updated Jun 13, 2024Jun 13, 2024

    • nomad-parser-plugin-example

      Public archive
      This is an example for NOMAD parser plugins. It should be forked to create actual plugins.
      Python
      •
      Apache License 2.0
      •14•5•2•0•Updated Jun 4, 2024Jun 4, 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