AiiDAlab App for Quantum ESPRESSO
☆33Sep 1, 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆24Aug 20, 2026Updated 2 weeks ago
- AiiDA plugin that makes running shell commands easy.☆16Aug 26, 2026Updated last week
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆30Aug 28, 2026Updated last week
- The official AiiDA plugin for Quantum ESPRESSO☆90Aug 14, 2026Updated 3 weeks ago
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Jul 20, 2026Updated last month
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 3 years ago
- machine learning interatomic potentials aiida plugin☆26Aug 28, 2026Updated last week
- Implements core functions for AiiDAlab.☆17Aug 27, 2026Updated last week
- The official AiiDA plugin for Phonopy☆24Aug 17, 2026Updated 3 weeks ago
- ☆17May 29, 2024Updated 2 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆60Jun 26, 2026Updated 2 months ago
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Aug 31, 2026Updated last week
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Jun 22, 2026Updated 2 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.
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Defect analysis modules for pymatgen☆66Aug 31, 2026Updated last week
- An API btw Quantum ESPRESSO and Python☆21Jan 28, 2022Updated 4 years ago
- This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York…☆93Jul 7, 2026Updated 2 months ago
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Jul 9, 2026Updated last month
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆24Nov 10, 2022Updated 3 years ago
- An AiiDA plugin for dynamically defining workflows using Python functions☆19Jun 10, 2022Updated 4 years ago
- Tutorials for Quantum Espresso☆30Aug 18, 2022Updated 4 years ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Aug 3, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Python tools for Quantum ESPRESSO☆43May 29, 2026Updated 3 months ago
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆16Aug 3, 2026Updated last month
- Recipes for software stacks on Alps vClusters.☆16Updated this week
- The official repository for the AiiDA code☆583Updated this week
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated 2 months ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆50Feb 20, 2026Updated 6 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 8 months ago
- Domain specific library for electronic structure calculations☆171Updated this week
- a workflow to do constant potential thermodynamic integration in VASP☆12Dec 19, 2024Updated last year
- 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.
- New ASE compliant Python interface to VASP☆155Jan 31, 2026Updated 7 months ago
- Porosity analysis tool☆19Oct 22, 2021Updated 4 years ago
- do the performance test of ABACUS☆28Aug 10, 2026Updated 3 weeks ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- A tool for finding optimized SQS structures tool written in C++☆77Aug 12, 2026Updated 3 weeks ago
- Machine-learning-driven VASP interface using MACE potentials☆52Aug 8, 2026Updated 3 weeks ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆197Updated this week