AiiDAlab App for Quantum ESPRESSO
☆29May 21, 2026Updated last 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☆24May 8, 2026Updated 3 weeks ago
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- The official AiiDA plugin for Quantum ESPRESSO☆84Updated this week
- AiiDA plugin that makes running shell commands easy.☆17May 21, 2026Updated last 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
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 2 years ago
- Implements core functions for AiiDAlab.☆16May 20, 2026Updated last week
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆27Apr 13, 2026Updated last month
- The official AiiDA plugin for Phonopy☆23May 4, 2026Updated 3 weeks ago
- An API btw Quantum ESPRESSO and Python☆21Jan 28, 2022Updated 4 years ago
- Recipes for software stacks on Alps vClusters.☆15May 21, 2026Updated last week
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆16May 4, 2026Updated 3 weeks ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Mar 21, 2020Updated 6 years ago
- ☆17May 29, 2024Updated 2 years ago
- 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.
- Translate a subset of C to Verilog☆12May 8, 2019Updated 7 years ago
- machine learning interatomic potentials aiida plugin☆25Apr 24, 2026Updated last month
- Domain specific library for electronic structure calculations☆164Updated this week
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Find plugins for AiiDA☆20May 19, 2026Updated last week
- Basic Python libraries used by UGent's HPC group☆15Feb 24, 2026Updated 3 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆57Jan 9, 2026Updated 4 months ago
- Material of the seminar "Julia for Materials Modelling"☆30Jun 23, 2023Updated 2 years ago
- An app for high-throughput analysis of spectra☆13Jan 21, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆13May 18, 2026Updated last week
- Tutorials for Quantum Espresso☆29Aug 18, 2022Updated 3 years ago
- Python tools for Quantum ESPRESSO☆42May 16, 2026Updated last week
- The official repository for the AiiDA code☆565May 22, 2026Updated last week
- A Generative Diffusion Model for Crystal Symmetry☆26Apr 13, 2026Updated last month
- A widget to visualize and edit atomic structures in Jupyter Notebook☆48Feb 20, 2026Updated 3 months 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 …☆26May 5, 2026Updated 3 weeks ago
- New ASE compliant Python interface to VASP☆152Jan 31, 2026Updated 3 months ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.☆14Apr 21, 2026Updated last month
- Registry for BIG-MAP apps and codes. Find the apps☆10Updated this week
- band unfolding using quantum espresso☆12Jul 7, 2023Updated 2 years ago
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Apr 6, 2026Updated last month
- Python package for Moiré EXciton calculations☆14Aug 22, 2025Updated 9 months ago
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 3 years ago
- Library for Crystal Symmetry in Rust☆75Updated this week