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    19 repositories

    • landau

      Public
      A library to calculate thermodynamic equilibria and plot phase diagrams in the (semi-)grand ensemble.
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •2•4•12•1•Updated Jan 20, 2026Jan 20, 2026

    • assyst

      Public
      Reference implentation of the Automated Small Symmetric Structure Training method
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •1•5•9•1•Updated Jan 19, 2026Jan 19, 2026

    • VASP-Python

      Public
      This is the data file associated with the publication "User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces"
      Jupyter Notebook
      •2•1•0•0•Updated Jan 5, 2026Jan 5, 2026

    • SPEA

      Public
      This is the data file associated with the publication: Statistical phase evaluation approach for defect phase diagrams, Physical Review B, 111, 054117, 2025
      Jupyter Notebook
      •0•0•0•0•Updated Jul 28, 2025Jul 28, 2025

    • software

      Public
      Software developed at the Max Planck Institut für Eisenforschung
      2•13•0•0•Updated Jul 18, 2025Jul 18, 2025

    • mgalca-mtp-data

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Jun 10, 2025Jun 10, 2025

    • CompositionSpace

      Public
      CompositionSpace is a python library for analysis of APT data.
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •5•0•4•1•Updated Apr 7, 2025Apr 7, 2025

    • periodic-boundary-exercise

      Public
      https://eisenforschung.github.io/periodic-boundary-exercise/
      mpie
      Jupyter Notebook
      •1•2•0•0•Updated Aug 30, 2024Aug 30, 2024

    • elaston

      Public archive
      Linear Elasticity Tools
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Aug 5, 2024Aug 5, 2024

    • EXTRA_FIM

      Public
      Python
      •
      GNU General Public License v3.0
      •0•2•0•1•Updated May 29, 2024May 29, 2024

    • magnesium-mtp-training-data

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •1•6•0•0•Updated Apr 9, 2024Apr 9, 2024

    • Mg-surface-phase-diagram

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Apr 5, 2024Apr 5, 2024

    • cm-journal-club

      Public
      Pyiron notebooks from our journal club
      pyiron
      Jupyter Notebook
      •1•2•1•0•Updated Jun 5, 2023Jun 5, 2023

    • CompositionSpace-jan2023

      Public
      CompositionSpace is a python library for analysis of APT data.
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •5•0•0•0•Updated Dec 13, 2022Dec 13, 2022

    • CompositionSpace-1

      Public
      CompositionSpace is a python library for analysis of APT data.
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •5•0•0•0•Updated Dec 13, 2022Dec 13, 2022

    • workshop-experimental-data-visualisation

      Public
      Workshop: experimental data visualization
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•1•0•0•Updated Apr 16, 2021Apr 16, 2021

    • mpie-jupyterhub-server

      Public
      Documentation on how to access and benefit from the pyiron-workflow server in MPIE.
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Nov 30, 2020Nov 30, 2020

    • sphinx-data

      Public
      JTH PAW atomic datasets
      0•0•0•0•Updated May 29, 2020May 29, 2020

    • eisenforschung.github.io

      Public
      Redirects to https://www.mpie.de
      mpie
      HTML
      •1•1•0•0•Updated Dec 19, 2019Dec 19, 2019