Repositories list

• heat-treatment-application-ontology

  Public
  home of the platform material digital application ontology for heat treatments

  Makefile

  •

  Apache License 2.0

  •5•0•2•0•Updated Oct 17, 2025Oct 17, 2025

• core-ontology

  Public
  The PMD Core Ontology (PMDco) official release repository

  Jupyter Notebook

  •

  Creative Commons Attribution 4.0 International

  •15•23•51•3•Updated Oct 17, 2025Oct 17, 2025

• ontology-hackathon-3

  Public
  This repository is dedicated to the third ontology hackathon workshop held at BAM, 2025-10-13 to 2025-10-15

  0•0•0•0•Updated Oct 16, 2025Oct 16, 2025

• ontomat-tools

  Public
  Tools and scripts developed in OntOMat

  Python

  •

  Apache License 2.0

  •0•0•0•0•Updated Oct 9, 2025Oct 9, 2025

• ontomat-ontology

  Public
  Base ontology developed in the OntOMat project (based on Industrial Data Ontology)

  Creative Commons Attribution 4.0 International

  •0•1•0•0•Updated Oct 6, 2025Oct 6, 2025

• BWMD-Mapping

  Public
  Mapping of BWMD Ontology to PMDCo

  Apache License 2.0

  •0•3•1•0•Updated Oct 2, 2025Oct 2, 2025

• ontomat-workflows

  Public
  Workflows in the OntOMat project

  Python

  •0•0•0•0•Updated Oct 1, 2025Oct 1, 2025

• pyiron_workflow_pure_grain_boundary_properties

  Public
  pyiron_workflow workflows for pure grain boundary properties

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Sep 29, 2025Sep 29, 2025

• pyiron_workflow_surface_energies

  Public
  Using pyiron_workflow for surface energies

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Sep 29, 2025Sep 29, 2025

• pyiron_workflow_lammps

  Public
  Demonstration of LAMMPS integration in the pyiron_workflow framework

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Sep 29, 2025Sep 29, 2025

• pyiron_workflow_bulk_solution_energy

  Public
  An example workflow of calculating a substitutional solution energy

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Sep 29, 2025Sep 29, 2025

• pyiron_workflow_equations_of_state

  Public
  Using pyiron_workflow for equations of state

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Sep 29, 2025Sep 29, 2025

• pyiron_workflow_structure_optimisation

  Public
  Atomistic structure optimisations with pyiron_workflow

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Sep 29, 2025Sep 29, 2025

• ontomat-data_collection

  Public
  Collection raw data in the OntOMat project

  Creative Commons Zero v1.0 Universal

  •0•0•0•0•Updated Sep 29, 2025Sep 29, 2025

• tensile-test-ontology

  Public
  Tensile test ontology (TTO) based on the PMDco 3.0 that was developed within the frame of the joint project Platform MaterialDigital (PMD)

  Jupyter Notebook

  •1•1•2•0•Updated Sep 25, 2025Sep 25, 2025

• ontology-playground

  Public
  0•0•0•0•Updated Sep 22, 2025Sep 22, 2025

• w3id

  Public
  Website source code for w3id.org.

  HTML

  •1.5k•0•2•0•Updated Sep 15, 2025Sep 15, 2025

• application-ontology-template

  Public
  template repository for starting a PMDCo application ontology

  Apache License 2.0

  •5•0•1•0•Updated Sep 15, 2025Sep 15, 2025

• ontomapper

  Public
  OntoMapper

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•1•0•0•Updated Sep 12, 2025Sep 12, 2025

• application-ontologies

  Public
  The PMD Application Ontologies (PMDao) official release repository

  6•4•0•3•Updated Sep 9, 2025Sep 9, 2025

• logistics-application-ontology

  Public
  PMDCo application ontology for logistics and supplychain adopted from [iof-supplychain-module](https://spec.industrialontologies.org/ontology/supplychain/Metadatasupplychain/supplychainModule)

  Makefile

  •

  Apache License 2.0

  •5•1•0•0•Updated Sep 5, 2025Sep 5, 2025

• heat-treatment-ontology

  Public
  Makefile

  •0•0•0•0•Updated Aug 26, 2025Aug 26, 2025

• ontology-alignment

  Public
  Module for Alignment of MSE Ontologies

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•4•1•Updated Aug 12, 2025Aug 12, 2025

• pyiron_grain_boundary_segregation_energies

  Public
  An example of how to find potentials suitable for finding segregation energies to grain boundaries using DFT benchmark comparison in pyiron

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•1•0•0•Updated Jul 4, 2025Jul 4, 2025

• pyiron_grain_boundary_energies

  Public
  An example of how to validate potentials using a GB energy DFT benchmark comparison

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Jul 4, 2025Jul 4, 2025

• pyiron_lammps_example

  Public
  An example of how to run a lammps calculation in pyiron.

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•1•0•0•Updated Jul 4, 2025Jul 4, 2025

• pmd-ckan

  Public
  Docker Compose Stack for PMD CKAN instances.

  Shell

  •

  GNU General Public License v3.0

  •1•2•0•0•Updated Jun 16, 2025Jun 16, 2025

• pmd-server

  Public
  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •5•2•2•1•Updated May 28, 2025May 28, 2025

• ontodocker

  Public
  JavaScript

  •

  BSD 3-Clause "New" or "Revised" License

  •0•2•13•0•Updated May 27, 2025May 27, 2025

• ADIS2023

  Public archive
  Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.

  Jupyter Notebook

  •6•11•0•0•Updated May 16, 2025May 16, 2025