The official AiiDA plugin for Quantum ESPRESSO
☆75Nov 28, 2025Updated 3 months ago
Alternatives and similar repositories for aiida-quantumespresso
Users that are interested in aiida-quantumespresso are comparing it to the libraries listed below
Sorting:
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Jan 9, 2026Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆23Feb 5, 2026Updated last month
- AiiDAlab App for Quantum ESPRESSO☆26Updated this week
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated last month
- The official repository for the AiiDA code☆544Updated this week
- The official AiiDA plugin for Phonopy☆20Dec 24, 2025Updated 2 months ago
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Jan 5, 2026Updated 2 months ago
- 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
- Find plugins for AiiDA☆19Updated this week
- AiiDA tutorials web site☆24Oct 2, 2025Updated 5 months ago
- A plugin to AiiDA for running simulations with VASP☆60Updated this week
- Implements core functions for AiiDAlab.☆16Mar 1, 2026Updated last week
- LAMMPS plugin for AiiDA☆27Updated this week
- Python tools for Quantum ESPRESSO☆37Oct 12, 2025Updated 4 months ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆174Feb 15, 2026Updated 3 weeks ago
- Domain specific library for electronic structure calculations☆164Updated this week
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- ☆17May 29, 2024Updated last year
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆25Updated this week
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 3 years ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated last year
- AiiDA Web API for data queries and workflow management.☆12Feb 11, 2026Updated 3 weeks ago
- ☆17Jan 2, 2021Updated 5 years ago
- QE-GIPAW for Quantum-Espresso (official repository)☆39Feb 25, 2026Updated last week
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated 2 weeks ago
- A Virtual Machine for computational materials science☆94Feb 27, 2026Updated last week
- 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
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆16Sep 1, 2025Updated 6 months ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated last month
- A general parser for VASP☆15Updated this week
- A library of ultrasoft and PAW pseudopotentials☆93Sep 16, 2022Updated 3 years ago
- ☆17Mar 24, 2025Updated 11 months ago
- Material of the seminar "Julia for Materials Modelling"☆30Jun 23, 2023Updated 2 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆154Jan 31, 2026Updated last month
- Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.☆644Feb 26, 2026Updated last week
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆65Jan 29, 2020Updated 6 years ago
- Official Repository of the Optados code☆24Nov 14, 2025Updated 3 months ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆18Updated this week