AiiDA plugin that makes running shell commands easy.
☆17May 21, 2026Updated 2 months ago
Alternatives and similar repositories for aiida-shell
Users that are interested in aiida-shell are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Updated this week
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 4 years ago
- The official AiiDA plugin for Phonopy☆24May 4, 2026Updated 2 months ago
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆29Updated this week
- AiiDA plugin for the Wannier90 code☆12May 10, 2024Updated 2 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- AiiDAlab App for Quantum ESPRESSO☆33Jul 6, 2026Updated 2 weeks ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆25May 8, 2026Updated 2 months ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆60Jun 26, 2026Updated 3 weeks ago
- The CP2K plugin for the AiiDA workflow and provenance engine.☆26Jul 6, 2026Updated 2 weeks ago
- The official AiiDA plugin for Quantum ESPRESSO☆88Updated this week
- Find plugins for AiiDA☆21Updated this week
- AiiDA Web API for data queries and workflow management.☆11Jun 17, 2026Updated last month
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆18Jul 2, 2026Updated 2 weeks ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆48Feb 20, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A Julia package for fitting the equation of state of solids, and more☆16Jun 18, 2026Updated last month
- LAMMPS plugin for AiiDA☆29Jul 13, 2026Updated last week
- A Julia wrapper for the spglib C-API☆24Jun 22, 2026Updated 3 weeks ago
- AiiDA plugin for Gaussian quantum chemistry software☆12Feb 21, 2026Updated 5 months ago
- A plugin to AiiDA for running simulations with VASP☆65Updated this week
- Post-processing toolkit for electronic structure calculations☆18Jul 1, 2026Updated 2 weeks ago
- machine learning interatomic potentials aiida plugin☆26Apr 24, 2026Updated 2 months ago
- AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…☆15Jun 10, 2026Updated last month
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆17Jul 9, 2026Updated last week
- 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.
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆15Updated this week
- The official repository for the AiiDA code☆575Updated this week
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆26Oct 27, 2023Updated 2 years ago
- Create beegfs server and client☆23Dec 2, 2021Updated 4 years ago
- Material of the seminar "Julia for Materials Modelling"☆30Jun 23, 2023Updated 3 years ago
- Basic Python libraries used by UGent's HPC group☆15Feb 24, 2026Updated 4 months ago
- AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF)☆24Nov 29, 2024Updated last year
- AiiDA tutorials web site☆24Oct 2, 2025Updated 9 months ago
- QE-GIPAW for Quantum-Espresso (official repository)☆40Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 6 years ago
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Install script collection for open-source software☆14Jul 10, 2026Updated last week
- BET Surface Identification - a program that fully implements the rouquerol criteria☆16Jul 6, 2023Updated 3 years ago
- An offline corepresentation database and tool set for 1651 magnetic space groups.☆14Mar 23, 2023Updated 3 years ago
- A playground for Wannier functions☆42Jun 8, 2026Updated last month
- Domain specific library for electronic structure calculations☆167Updated this week