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    28 repositories

    • aiida-dmrg

      Public
      Aiida plugin for the DMRG calculation
      Python
      •
      MIT License
      •0•0•0•0•Updated Feb 26, 2025Feb 26, 2025

    • aiidalab-for-teaching

      Public
      Shell
      •
      MIT License
      •0•0•3•0•Updated Feb 25, 2025Feb 25, 2025

    • cp2k-spm-tools

      Public
      Scanning probe microscopy simulation tools based on CP2K
      Python
      •
      MIT License
      •5•14•1•1•Updated Feb 24, 2025Feb 24, 2025

    • aiidalab-empa-nanoribbons

      Public
      AiiDAlab app for nanoribbons developed at Empa.
      Python
      •
      MIT License
      •0•0•1•3•Updated Feb 22, 2025Feb 22, 2025

    • aiidalab-empa-surfaces

      Public
      AiiDAlab app for on-surface chemistry developed at Empa.
      Python
      •
      MIT License
      •4•7•7•6•Updated Feb 22, 2025Feb 22, 2025

    • aiida-openbis

      Public
      Tools for AiiDA openBIS integration
      Jupyter Notebook
      •0•1•3•1•Updated Feb 20, 2025Feb 20, 2025

    • aiidalab-alps-files

      Public
      Files needed to set up codes for AiiDAlab on ALPS
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Feb 16, 2025Feb 16, 2025

    • aiidalab-empa-setup

      Public
      Application to configure computers and codes for Empa
      Python
      •
      MIT License
      •0•0•1•0•Updated Feb 16, 2025Feb 16, 2025

    • aiida-nanotech-empa

      Public
      AiiDA plugins and workflows developed at nanotech@surfaces group from Empa.
      Python
      •
      MIT License
      •0•4•13•5•Updated Feb 11, 2025Feb 11, 2025

    • aiidalab-nanotech-coffee

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Feb 3, 2025Feb 3, 2025

    • aiidalab-empa-molecules

      Public
      App to compute molecular properties
      Python
      •
      MIT License
      •0•0•5•0•Updated Jan 14, 2025Jan 14, 2025

    • cubehandler

      Public
      Python
      •0•1•0•0•Updated Jan 14, 2025Jan 14, 2025

    • spmpy

      Public
      loading nanonis files
      Jupyter Notebook
      •
      MIT License
      •0•0•8•1•Updated Jan 7, 2025Jan 7, 2025

    • aiida-gaussian

      Public
      AiiDA plugin for Gaussian quantum chemistry software
      Python
      •
      MIT License
      •3•11•2•2•Updated Jan 7, 2025Jan 7, 2025

    • aiidalab-nanotech-publications

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•0•Updated Nov 25, 2024Nov 25, 2024

    • simpleNFB

      Public
      Simple nanonis file browser based in jupyter notebook
      Jupyter Notebook
      •
      MIT License
      •0•0•3•0•Updated Sep 2, 2024Sep 2, 2024

    • nanotech-premise

      Public
      Python
      •
      MIT License
      •0•1•0•0•Updated Mar 8, 2024Mar 8, 2024

    • nics-gaussian

      Public
      Examples on how to compute NICS and ACID plots
      MIT License
      •0•0•0•0•Updated Mar 5, 2024Mar 5, 2024

    • aiida-quantumespresso

      Public
      The official AiiDA plugin for Quantum ESPRESSO
      Python
      •
      Other
      •83•0•0•0•Updated Dec 12, 2023Dec 12, 2023

    • nanonis-data-browser

      Public
      Python
      •0•0•3•0•Updated Aug 18, 2023Aug 18, 2023

    • aiidalab-empa-scanning-probe

      Public
      Materials Cloud scanning probe microscopy app
      Jupyter Notebook
      •
      MIT License
      •2•0•0•1•Updated 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
      •8•0•0•0•Updated Apr 18, 2023Apr 18, 2023

    • general-issues

      Public
      Issues that are not bound to a specific repository.
      0•0•4•0•Updated Oct 26, 2022Oct 26, 2022

    • igor-tools

      Public
      Simple tools to manage IGOR Pro files
      Jupyter Notebook
      •0•0•0•0•Updated Jun 25, 2022Jun 25, 2022

    • spin-chains

      Public
      Didactic notebooks to understand spin algebra
      Jupyter Notebook
      •0•0•0•0•Updated Mar 19, 2022Mar 19, 2022

    • blender-atomic-loader

      Public
      Python
      •
      MIT License
      •2•5•0•1•Updated Dec 30, 2021Dec 30, 2021

    • calculation-examples

      Public
      Input and output files for various example calculations.
      Shell
      •0•0•0•0•Updated Sep 28, 2021Sep 28, 2021

    • aiidalab-empa-tb-mfh

      Public
      AiiDAlab app to run tight-binding mean field Hubbard calculations
      Jupyter Notebook
      •
      MIT License
      •0•2•0•0•Updated Jan 29, 2021Jan 29, 2021