Graph-and-node based workflows
☆23Jul 20, 2026Updated this week
Alternatives and similar repositories for pyiron_workflow
Users that are interested in pyiron_workflow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Software developed at the Max Planck Institut für Eisenforschung☆13Jul 18, 2025Updated last year
- Python Laboratory for Dislocation Dynamics☆13Jun 8, 2026Updated last month
- Up-scale python functions for high-performance computing (HPC)☆76Updated this week
- Prototype of a graphical user interface for pyiron (unstable)☆25Jun 30, 2025Updated last year
- Kanapy is a python package for generating three-dimensional synthetic polycrystals based on characteristic microstructural features.☆48Jul 16, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated 2 years ago
- Synthetic microstructure generator. Online documentation:☆25Mar 9, 2021Updated 5 years ago
- Read and write simple Python objects using HDF5☆21Updated this week
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- A fully automated approach to determine the melting temperature of crystalline materials☆22Jul 23, 2024Updated 2 years ago
- pytest-inline is a pytest plugin for writing inline tests.☆19Dec 11, 2025Updated 7 months ago
- The metadata-aware mailbox and structured submission interface for research data submission.☆18Feb 6, 2023Updated 3 years ago
- Read, process and plot EBSD (electron backscatter diffraction) data☆15Jan 7, 2019Updated 7 years ago
- interacting Dynamic Electrons Approach☆31Apr 3, 2026Updated 3 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- The ITAP Molecular Dynamics Program☆20Oct 12, 2022Updated 3 years ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- Triplestore wrapper package for Python.☆13Updated this week
- Tools for machine learnt interatomic potentials☆49Updated this week
- A Python toolkit to perform common tensor operations in Continuum Mechanics☆25Jul 8, 2026Updated 2 weeks ago
- atomRDF is a python tool for ontology-based creation, manipulation, and querying of structures. atomRDF uses the Computational Material S…☆14Jul 7, 2026Updated 2 weeks ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 6 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Algorithms for fast alignment of structures in finite and periodic systems.☆15Aug 11, 2022Updated 3 years ago
- Using `apt.txt` to install latex for use in notebooks.☆14Jul 4, 2021Updated 5 years ago
- pyiron - an integrated development environment (IDE) for computational materials science.☆459Oct 13, 2025Updated 9 months ago
- Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling☆20Dec 15, 2025Updated 7 months ago
- A conda-smithy repository for lammps.☆10Jun 12, 2026Updated last month
- A simple homepage for serving notebooks with voila.☆13Aug 9, 2019Updated 6 years ago
- A grain boundary generation code☆87Sep 12, 2023Updated 2 years ago
- Jupyter notebook for an introduction to atomic-scale machine learning class☆18Nov 14, 2023Updated 2 years ago
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26May 5, 2026Updated 2 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Similarity based email sorting for Google Mail using RandomForest classifiers☆20Updated this week
- ☆14May 23, 2023Updated 3 years ago
- Generate atomic structures for common defects in materials☆19Apr 22, 2024Updated 2 years ago
- Documentation for PEP specification and all PEPkit software☆10Mar 25, 2026Updated 3 months ago
- While the first countries are easing their lockdowns, others report more and more new cases every day. Data for the global picture shows:…☆18Apr 12, 2021Updated 5 years ago
- Unfolding of first-principle electronic band structure☆14Apr 23, 2023Updated 3 years ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆77Jun 29, 2026Updated 3 weeks ago