Repositories list

• 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

  •104•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

  •107•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+ 1mybinder

  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

  •0•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•0•0•0•Updated Feb 21, 2021Feb 21, 2021

• DAMASK-example

  Public
  Jupyter notebook based workflows for DAMASK simulations

  Jupyter Notebook

  •9•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

  •16•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

  •17•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 dependencies are available on conda-forge.

  Jupyter Notebook

  •3•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