An AiiDA plugin for dynamically defining workflows using Python functions
☆18Jun 10, 2022Updated 3 years ago
Alternatives and similar repositories for aiida-dynamic-workflows
Users that are interested in aiida-dynamic-workflows are comparing it to the libraries listed below
Sorting:
- Find plugins for AiiDA☆19Updated this week
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated 2 months ago
- AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF)☆23Nov 29, 2024Updated last year
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆56Jan 9, 2026Updated 2 months ago
- Post-processing toolkit for electronic structure calculations☆18Updated this week
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Jan 10, 2025Updated last year
- Implements core functions for AiiDAlab.☆16Mar 1, 2026Updated 3 weeks ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆47Feb 20, 2026Updated last month
- AiiDA Web API for data queries and workflow management.☆12Feb 11, 2026Updated last month
- AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…☆15Dec 1, 2025Updated 3 months ago
- The official repository for the AiiDA code☆546Updated this week
- Tools for implementing and consuming OPTIMADE APIs in Python☆89Mar 9, 2026Updated last week
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 6 months ago
- Organization for hosting of online conferences☆24Updated this week
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆23Feb 5, 2026Updated last month
- Python tools for Quantum ESPRESSO☆37Mar 12, 2026Updated last week
- ☆11May 7, 2024Updated last year
- Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)☆18Mar 6, 2026Updated 2 weeks ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated last year
- Extended XYZ read/write support for Julia☆18Dec 3, 2024Updated last year
- Official Repository of the Optados code☆24Nov 14, 2025Updated 4 months ago
- DRAFT 📝 Article about the algorithms used in the Adaptive package☆14May 6, 2020Updated 5 years ago
- ☆17Sep 17, 2025Updated 6 months ago
- 📖 Convert a yaml file to bib file with the correct journal abbreviations.☆15Updated this week
- A general parser for VASP☆15Updated this week
- Tracking citations of atomistic simulation engines☆27Updated this week
- Specification of a common REST API for access to materials databases☆104Feb 6, 2026Updated last month
- Efficient numerical computation of the Pfaffian for dense and banded skew-symmetric matrices☆20Updated this week
- Accelerating Defect Prediction in Semiconductors Using Graph Neural Networks☆15Dec 9, 2024Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- A Virtual Machine for computational materials science☆95Updated this week
- ☆17May 29, 2024Updated last year
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Jan 5, 2026Updated 2 months ago
- A Julia wrapper for the spglib C-API☆24Mar 13, 2026Updated last week
- ☆37Sep 26, 2025Updated 5 months ago
- Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)☆17Mar 13, 2026Updated last week
- The official AiiDA plugin for Quantum ESPRESSO☆75Updated this week
- A plugin to AiiDA for running simulations with VASP☆60Updated this week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Dec 4, 2023Updated 2 years ago