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    44 repositories

    • nomad-lab-vasp-parser

      Public
      Benchmark Nomad Lab Parser
      Jupyter Notebook
      •0•2•0•0•Updated Feb 6, 2024Feb 6, 2024

    • lammps-matgl

      Public
      Demonstrate how to use LAMMPS with MatGL
      Python
      •
      GNU General Public License v2.0
      •0•1•0•0•Updated Jan 29, 2024Jan 29, 2024

    • cp2k-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Jan 4, 2024Jan 4, 2024

    • quantum-espresso-example

      Public
      Jupyter Notebook
      •2•1•0•0•Updated Nov 29, 2023Nov 29, 2023

    • lammps-tutorials

      Public
      LAMMPS tutorials for Beginners
      Jupyter Notebook
      •118•1•0•0•Updated Jul 2, 2023Jul 2, 2023

    • ryven-binder

      Public
      Run a Linux Desktop on a JupyterHub
      JavaScript
      •
      BSD 3-Clause "New" or "Revised" License
      •123•0•0•0•Updated Feb 6, 2022Feb 6, 2022

    • .github

      Public
      Awesome mybinder examples for material science, mainly focused on atomistic simulation from density functional theory to interatomic potentials.
      awesomeawesome-listmaterials-science
      awesomeawesome-listmaterials-sciencemybinder
      1•3•0•0•Updated Jan 22, 2022Jan 22, 2022

    • precice-example

      Public
      precice - partitioned heat conduction example
      Jupyter Notebook
      •2•0•0•0•Updated Nov 16, 2021Nov 16, 2021

    • fitsnap-demo

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Sep 8, 2021Sep 8, 2021

    • nwchem-example

      Public
      Jupyter Notebook
      •1•0•0•0•Updated Aug 3, 2021Aug 3, 2021

    • python-xtb-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Aug 3, 2021Aug 3, 2021

    • runner-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Mar 3, 2021Mar 3, 2021

    • aarch64-jupyter-docker-stacks

      Public
      Shell
      •3•0•0•0•Updated Feb 25, 2021Feb 25, 2021

    • maml-example

      Public
      Machine Learning Force Field for Materials
      Jupyter Notebook
      •
      MIT License
      •0•1•0•0•Updated Feb 21, 2021Feb 21, 2021

    • DAMASK-example

      Public
      Jupyter notebook based workflows for DAMASK simulations
      Jupyter Notebook
      •11•2•0•0•Updated Feb 20, 2021Feb 20, 2021

    • pynnp-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Feb 14, 2021Feb 14, 2021

    • fenics-example

      Public
      Jupyter Notebook
      •0•1•0•0•Updated Dec 22, 2020Dec 22, 2020

    • fitsnap-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Nov 29, 2020Nov 29, 2020

    • aalto-boss-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Nov 29, 2020Nov 29, 2020

    • secure-multi-user-conda

      Public
      Docker Container with read-only conda environment.
      Dockerfile
      •0•1•0•0•Updated Nov 19, 2020Nov 19, 2020

    • practical-phase-field-with-examples

      Public
      A short tutorial on phase field models.
      Jupyter Notebook
      •17•0•0•0•Updated Oct 27, 2020Oct 27, 2020

    • LAMMPS-free-energy-example

      Public
      Examples demonstrating how to reproduce the results in the paper.
      Jupyter Notebook
      •19•1•0•0•Updated Oct 26, 2020Oct 26, 2020

    • povray-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Aug 11, 2020Aug 11, 2020

    • wannierberri-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Aug 5, 2020Aug 5, 2020

    • pyprocar-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Jun 22, 2020Jun 22, 2020

    • abinit-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated Jun 5, 2020Jun 5, 2020

    • sphinx-example

      Public
      Jupyter Notebook
      •0•0•0•0•Updated May 30, 2020May 30, 2020

    • ase-examples

      Public
      A series of ASE examples, introducing the basic functionality and how to use the interfaces for cp2k, gpaw, lammps, openkim, quantum-espresso and siesta. All de…
      Jupyter Notebook
      •5•7•0•0•Updated May 28, 2020May 28, 2020

    • gpaw-example

      Public
      Jupyter Notebook
      •1•1•0•0•Updated May 28, 2020May 28, 2020

    • lammps-example

      Public
      Jupyter Notebook
      •1•1•0•0•Updated May 24, 2020May 24, 2020
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