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    • AiiDAlab app for nanoribbons developed at Empa.
      Python
      MIT License
      0011Updated Dec 24, 2024Dec 24, 2024
    • Tools for AiiDA openBIS integration
      Jupyter Notebook
      0131Updated Dec 18, 2024Dec 18, 2024
    • Python
      0100Updated Dec 17, 2024Dec 17, 2024
    • AiiDA plugins and workflows developed at nanotech@surfaces group from Empa.
      Python
      MIT License
      04137Updated Dec 17, 2024Dec 17, 2024
    • AiiDAlab app for on-surface chemistry developed at Empa.
      Python
      MIT License
      4675Updated Dec 13, 2024Dec 13, 2024
    • Jupyter Notebook
      MIT License
      0000Updated Nov 26, 2024Nov 26, 2024
    • Jupyter Notebook
      MIT License
      0000Updated Nov 25, 2024Nov 25, 2024
    • spmpy

      Public
      loading nanonis files
      Jupyter Notebook
      MIT License
      0081Updated Oct 31, 2024Oct 31, 2024
    • AiiDA plugin for Gaussian quantum chemistry software
      Python
      MIT License
      31122Updated Sep 25, 2024Sep 25, 2024
    • simpleNFB

      Public
      Simple nanonis file browser based in jupyter notebook
      Jupyter Notebook
      MIT License
      0030Updated Sep 2, 2024Sep 2, 2024
    • Shell
      MIT License
      0031Updated Jul 2, 2024Jul 2, 2024
    • App to compute molecular properties
      Python
      MIT License
      0052Updated Jul 2, 2024Jul 2, 2024
    • Python
      MIT License
      0100Updated Mar 8, 2024Mar 8, 2024
    • Examples on how to compute NICS and ACID plots
      MIT License
      0000Updated Mar 5, 2024Mar 5, 2024
    • The official AiiDA plugin for Quantum ESPRESSO
      Python
      Other
      82000Updated Dec 12, 2023Dec 12, 2023
    • Scanning probe microscopy simulation tools based on CP2K
      Python
      MIT License
      41441Updated Oct 24, 2023Oct 24, 2023
    • Python
      0030Updated Aug 18, 2023Aug 18, 2023
    • Materials Cloud scanning probe microscopy app
      Jupyter Notebook
      MIT License
      2001Updated May 31, 2023May 31, 2023
    • CoFFEE

      Public
      Corrections for formation energy and eigenvalues for charged defect simulations
      Python
      BSD 3-Clause "New" or "Revised" License
      8000Updated Apr 18, 2023Apr 18, 2023
    • Issues that are not bound to a specific repository.
      0040Updated Oct 26, 2022Oct 26, 2022
    • Simple tools to manage IGOR Pro files
      Jupyter Notebook
      0000Updated Jun 25, 2022Jun 25, 2022
    • Didactic notebooks to understand spin algebra
      Jupyter Notebook
      0000Updated Mar 19, 2022Mar 19, 2022
    • Python
      MIT License
      2401Updated Dec 30, 2021Dec 30, 2021
    • Input and output files for various example calculations.
      Shell
      0000Updated Sep 28, 2021Sep 28, 2021
    • AiiDAlab app to run tight-binding mean field Hubbard calculations
      Jupyter Notebook
      MIT License
      0200Updated Jan 29, 2021Jan 29, 2021