Graph-and-node based workflows
☆23Sep 21, 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
- Up-scale python functions for high-performance computing (HPC)☆77Sep 14, 2026Updated last week
- Core components of the pyiron integrated development environment (IDE) for computational materials science☆26Updated this week
- Synthetic microstructure generator. Online documentation:☆25Mar 9, 2021Updated 5 years ago
- Read and write simple Python objects using HDF5☆21Sep 14, 2026Updated last week
- 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.
- A fully automated approach to determine the melting temperature of crystalline materials☆22Updated this week
- The ITAP Molecular Dynamics Program☆21Oct 12, 2022Updated 3 years ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 3 years ago
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed pro…☆14Aug 5, 2026Updated last month
- Python Laboratory for Finite Element Analysis☆68Updated this week
- Simmate: a full-stack framework for chemistry research.☆37Sep 1, 2026Updated 3 weeks ago
- Tools for machine learnt interatomic potentials☆51Updated this 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.
- A collection of basic routines for Molecular Dynamics simulations implemented in Julia☆13Nov 4, 2025Updated 10 months ago
- A Python toolkit to perform common tensor operations in Continuum Mechanics☆27Jul 8, 2026Updated 2 months ago
- ænet-PyTorch: a GPU-supported implementation for machine learning atomic potentials training☆19Mar 18, 2024Updated 2 years ago
- ☆21Nov 15, 2019Updated 6 years ago
- ☆11Aug 29, 2022Updated 4 years ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 8 months ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆15Aug 11, 2022Updated 4 years ago
- Using `apt.txt` to install latex for use in notebooks.☆14Jul 4, 2021Updated 5 years ago
- Command line tool to get bibliography e.g. BibTex entries☆14Feb 10, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling☆20Dec 15, 2025Updated 9 months ago
- Auto-generated NumPy Enhancement Proposals☆10Updated this week
- A conda-smithy repository for lammps.☆10Updated this week
- A simple homepage for serving notebooks with voila.☆13Aug 9, 2019Updated 7 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 …☆26Sep 1, 2026Updated 3 weeks ago
- Similarity based email sorting for Google Mail using RandomForest classifiers☆20Updated this week
- Generate atomic structures for common defects in materials☆19Apr 22, 2024Updated 2 years ago
- Documentation for PEP specification and all PEPkit software☆10Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- 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
- The Jacobi Davison diagonalization, python interface with fortran underlying.☆12Mar 25, 2019Updated 7 years ago
- Unfolding of first-principle electronic band structure☆14Apr 23, 2023Updated 3 years ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆78Updated this week
- ☆17Sep 6, 2026Updated 2 weeks ago
- Lightweight web service clients in the WasmEdge Runtime using the Rust reqwest framework☆12Feb 6, 2026Updated 7 months ago
- elastic_vasp is a VASP-based Python tool that generates strained structures and extracts elastic constants from strain-energy calculati…☆15Apr 14, 2026Updated 5 months ago