AiiDAlab App for Quantum ESPRESSO
☆26Mar 3, 2026Updated this week
Alternatives and similar repositories for aiidalab-qe
Users that are interested in aiidalab-qe are comparing it to the libraries listed below
Sorting:
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆23Feb 5, 2026Updated last month
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated last month
- Implements core functions for AiiDAlab.☆16Mar 1, 2026Updated last week
- The official AiiDA plugin for Quantum ESPRESSO☆75Nov 28, 2025Updated 3 months ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated last year
- 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
- The official AiiDA plugin for Phonopy☆20Dec 24, 2025Updated 2 months ago
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 2 years ago
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆25Updated this week
- An API btw Quantum ESPRESSO and Python☆20Jan 28, 2022Updated 4 years ago
- Recipes for software stacks on Alps vClusters.☆16Updated this week
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆17Updated this week
- machine learning interatomic potentials aiida plugin☆20Jan 30, 2026Updated last month
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Jan 9, 2026Updated last month
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- ☆17May 29, 2024Updated last year
- Python tools for Quantum ESPRESSO☆37Oct 12, 2025Updated 4 months ago
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 5 years ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆46Feb 20, 2026Updated 2 weeks ago
- Find plugins for AiiDA☆19Updated this week
- A real-space DFT code☆16Dec 4, 2020Updated 5 years ago
- ☆20Aug 10, 2023Updated 2 years ago
- AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF)☆23Nov 29, 2024Updated last year
- New ASE compliant Python interface to VASP☆145Jan 31, 2026Updated last month
- Tutorials for Quantum Espresso☆26Aug 18, 2022Updated 3 years ago
- Defect analysis modules for pymatgen☆61Updated this week
- The official repository for the AiiDA code☆544Updated this week
- Domain specific library for electronic structure calculations☆164Updated this week
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Jan 5, 2026Updated 2 months ago
- Material of the seminar "Julia for Materials Modelling"☆30Jun 23, 2023Updated 2 years ago
- ☆12Feb 24, 2026Updated last week
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆174Feb 15, 2026Updated 3 weeks ago
- AiSurf is an open-source package for analyzing surface microscopy images, based on established computer vision and machine learning techn…☆12Oct 2, 2025Updated 5 months ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆10Nov 6, 2025Updated 4 months ago
- Python wrappers for the FirecREST API☆12Dec 23, 2025Updated 2 months ago
- Thermodynamics of solids in the quasiharmonic approximation.☆38Updated this week
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago