Repositories list

• remote-executor

  Public archive
  Executor interface to submit python function to a Flux queuing system.

  Jupyter Notebook

  •0•1•0•0•Updated Jan 17, 2025Jan 17, 2025

• compare-workflow-graphs

  Public
  Compare workflow graphs to identify a superset of commands which supports both file based workflows as well as python workflows.

  Jupyter Notebook

  •1•1•0•0•Updated Jan 17, 2025Jan 17, 2025

• scipy-validate-constants

  Public
  The physical constants in scipy changed from 1.14 to 1.15

  Jupyter Notebook

  •0•0•0•0•Updated Jan 9, 2025Jan 9, 2025

• executorlib-emcee

  Public
  Use executorlib to run emcee in parallel

  Jupyter Notebook

  •0•0•0•0•Updated Dec 18, 2024Dec 18, 2024

• pyiron-script-job-queue

  Public
  Submit pyiron ScriptJob to queuing system

  Jupyter Notebook

  •0•0•0•0•Updated Nov 23, 2024Nov 23, 2024

• pyiron-conceptual-dict

  Public
  First trial for pyiron based conceptual dictionary for use with ontologies and OpenBis

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•2•0•Updated Oct 23, 2024Oct 23, 2024

• NFDI4Ing_pyiron_base

  Public archive
  Implement NFDI4Ing workflows with pyiron_base - work in progress

  Jupyter Notebook

  •0•0•1•0•Updated Oct 11, 2024Oct 11, 2024

• pyiron-hdf5-format

  Public archive
  Compare how different pyiron job objects are serialised in HDF5

  Jupyter Notebook

  •0•0•0•0•Updated Oct 3, 2024Oct 3, 2024

• .github

  Public
  0•0•0•0•Updated Sep 29, 2024Sep 29, 2024

• pysqa-executor

  Public archive
  Jupyter Notebook

  •0•0•0•0•Updated Sep 29, 2024Sep 29, 2024

• debug-pyiron-stack

  Public
  Run pyiron_atomistics tests on a combination of any pyiron_base and pyiron_atomistics branch

  1•0•0•0•Updated Aug 26, 2024Aug 26, 2024

• pyiron-vp4jl

  Public
  Visual Programming Interface for pyiron

  Jupyter Notebook

  •0•0•0•0•Updated Jul 27, 2024Jul 27, 2024

• docker4nfdi_examples

  Public
  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Jul 25, 2024Jul 25, 2024

• pyiron_base_graph

  Public archive
  Example Quantum Espresso Workflow as developed in the ADIS Workshop

  Jupyter Notebook

  •0•0•0•0•Updated Jul 6, 2024Jul 6, 2024

• pyiron_base_atomistics

  Public
  Replace pyiron_atomistics by pyiron_base and atomistics

  Jupyter Notebook

  •0•0•0•0•Updated May 1, 2024May 1, 2024

• pyiron-dynamic-executable

  Public archive
  Generate pyiron JobClasses dynamically

  pyiron

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Jan 16, 2024Jan 16, 2024

• pyiron-dynamic

  Public archive
  Generate pyiron JobClasses dynamically

  pyiron

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated Jan 16, 2024Jan 16, 2024

• debug-pyiron-integration-tests

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Jan 12, 2024Jan 12, 2024

• pyiron-quantum-espresso

  Public
  quantum espresso interface for pyiron based on ase

  quantum-espressoasepyiron

  Jupyter Notebook

  •0•3•0•0•Updated Dec 18, 2023Dec 18, 2023

• test-lammps-mlip

  Public
  Test LAMMP mlip - Version 3

  Jupyter Notebook

  •0•0•0•1•Updated Nov 22, 2023Nov 22, 2023

• pyiron-flux-demo

  Public
  Exascale demonstration combining flux and pyiron

  Jupyter Notebook

  •0•1•0•0•Updated Jul 12, 2023Jul 12, 2023

• randspg-pyiron-win

  Public archive
  Test to validate randspg is working with pyiron on windows

  Python

  •0•0•0•0•Updated May 11, 2023May 11, 2023

• pyiron-no-file-access

  Public
  Calculate elastic constants with LAMMPS and pyiron with no file system access

  pyiron

  Jupyter Notebook

  •0•0•0•0•Updated Feb 19, 2023Feb 19, 2023

• pyiron-continuum-docker-test

  Public
  Test pyiron/continuum docker container

  pythondocker

  Dockerfile

  •0•0•0•0•Updated Feb 6, 2023Feb 6, 2023

• test-damask

  Public
  Test DAMASK with pyiron

  pyiron

  Jupyter Notebook

  •0•1•0•0•Updated Feb 3, 2023Feb 3, 2023

• minio-example

  Public
  miniomybinder

  Jupyter Notebook

  •0•1•0•0•Updated Nov 20, 2022Nov 20, 2022

• FeC-elastic-pyiron

  Public
  pyiron

  Jupyter Notebook

  •1•0•0•0•Updated Nov 7, 2022Nov 7, 2022

• pyiron-materialdigital-demo

  Public
  MaterialDigital Demo

  pyiron

  Jupyter Notebook

  •

  BSD 3-Clause "New" or "Revised" License

  •0•0•0•0•Updated May 9, 2022May 9, 2022

• new-database-example

  Public
  pyiron

  Jupyter Notebook

  •0•0•0•0•Updated Apr 26, 2022Apr 26, 2022

• phono3py_pyiron

  Public
  Calculate Thermal Conductivity for Tersoff potential

  pyiron

  Jupyter Notebook

  •0•1•0•0•Updated Mar 2, 2022Mar 2, 2022