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    • courier

      Public
      A module for publishing workflow recipies, their instances and related assets, including but not limited to their semantic annotation and generated data.
      Python
      BSD 3-Clause "New" or "Revised" License
      0134Updated May 29, 2026May 29, 2026
    • Up-scale python functions for high-performance computing (HPC)
      Python
      BSD 3-Clause "New" or "Revised" License
      673398Updated May 28, 2026May 28, 2026
    • Parser for LAMMPS input and output files.
      Python
      BSD 3-Clause "New" or "Revised" License
      5424Updated May 28, 2026May 28, 2026
    • Prototype node library for pyiron_workflows
      Python
      0072Updated May 28, 2026May 28, 2026
    • Atomistic workflows for use in pyiron_workflow
      Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      0002Updated May 28, 2026May 28, 2026
    • pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
      Python
      BSD 3-Clause "New" or "Revised" License
      18541435Updated May 28, 2026May 28, 2026
    • Interfaces for atomistic simulation codes and workflows
      Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      4102120Updated May 27, 2026May 27, 2026
    • Parser for the Vienna Ab initio Simulation Package (VASP)
      Python
      BSD 3-Clause "New" or "Revised" License
      0022Updated May 27, 2026May 27, 2026
    • pothenon

      Public
      Find dependency of python functions
      Python
      BSD 3-Clause "New" or "Revised" License
      0001Updated May 27, 2026May 27, 2026
    • cmmc_env

      Public
      Latest environment on cmti/cmmg
      Python
      BSD 3-Clause "New" or "Revised" License
      00015Updated May 26, 2026May 26, 2026
    • Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based on executorlib
      Python
      BSD 3-Clause "New" or "Revised" License
      53832Updated May 26, 2026May 26, 2026
    • build, analyse and visualise atomistic structures for materials science
      Python
      BSD 3-Clause "New" or "Revised" License
      18128Updated May 26, 2026May 26, 2026
    • flowrep

      Public
      your premier tool for workflow recipes
      Python
      BSD 3-Clause "New" or "Revised" License
      0224Updated May 25, 2026May 25, 2026
    • Ready-to-run Docker images containing pyiron applications
      Dockerfile
      BSD 3-Clause "New" or "Revised" License
      131034Updated May 25, 2026May 25, 2026
    • pysqa

      Public
      Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.
      Python
      BSD 3-Clause "New" or "Revised" License
      834170Updated May 25, 2026May 25, 2026
    • Run a subprocess or python function in a separate conda environment.
      Python
      BSD 3-Clause "New" or "Revised" License
      1563Updated May 25, 2026May 25, 2026
    • Core components of the pyiron integrated development environment (IDE) for computational materials science
      Python
      BSD 3-Clause "New" or "Revised" License
      1626782Updated May 25, 2026May 25, 2026
    • Dataclasses for the pyiron workflow framework
      Python
      BSD 3-Clause "New" or "Revised" License
      0000Updated May 25, 2026May 25, 2026
    • Pickle-like storage for python objects with browsing, version control, and partial loading
      Python
      BSD 3-Clause "New" or "Revised" License
      1352Updated May 25, 2026May 25, 2026
    • PyFileIndex - pythonic file system index
      Python
      BSD 3-Clause "New" or "Revised" License
      2911Updated May 25, 2026May 25, 2026
    • lammps library for pyiron_workflow
      Python
      BSD 3-Clause "New" or "Revised" License
      0006Updated May 25, 2026May 25, 2026
    • Graph-and-node based workflows
      Python
      BSD 3-Clause "New" or "Revised" License
      323662Updated May 25, 2026May 25, 2026
    • Python
      BSD 3-Clause "New" or "Revised" License
      0011Updated May 25, 2026May 25, 2026
    • Provide type hinting and interpreters for scientific context on node inputs and outputs
      Python
      BSD 3-Clause "New" or "Revised" License
      01121Updated May 21, 2026May 21, 2026
    • pyiron_module_template

      Public template
      A template to generate a new pyiron module.
      Shell
      BSD 3-Clause "New" or "Revised" License
      0030Updated May 21, 2026May 21, 2026
    • actions

      Public
      A centralized location for our GitHub actions
      Python
      BSD 3-Clause "New" or "Revised" License
      12122Updated May 19, 2026May 19, 2026
    • react xyflow for pyiron
      Jupyter Notebook
      BSD 3-Clause "New" or "Revised" License
      18252Updated May 18, 2026May 18, 2026
    • standalone repo for vasp_nodes in pyiron_workflow https://github.com/pyiron/pyiron_workflow
      Jupyter Notebook
      0001Updated May 16, 2026May 16, 2026
    • Parser for the S/PHI/nX DFT simulation code.
      Python
      BSD 3-Clause "New" or "Revised" License
      1222Updated May 11, 2026May 11, 2026
    • elaston

      Public
      Elaston is a simple and lightweight module for linear elasticity calculations.
      Python
      BSD 3-Clause "New" or "Revised" License
      0000Updated May 3, 2026May 3, 2026
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