MCP for AiiDA

Uses LLM to achieve a prompt via aiida cli

Get up and running with OpenAI gpt-oss, DeepSeek-R1, Gemma 3 and other models.

A command-line productivity tool powered by AI large language models like GPT-4, will help you accomplish your tasks faster and more efficiently.

An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server

Visual scripting framework for python

The official repository for the AiiDA code

AiiDA Transport/Scheduler plugins for interfacing with FirecREST (https://products.cscs.ch/firecrest/)

A simple async workflow engine for interfacing with FirecREST

Kernel module for keyboard backlighting for regular Clevo laptops and other vendors, based on TUXEDO Computers keyboard application

AiiDA enhancement proposals

Python wrappers for the FirecREST API

Registry of simulation codes and computers for easy setup in AiiDA.

Resource registry for easy setup computer and code

A basic Sphinx project for Read the Docs

Proof-of-Concept for an ICON-CLM workflow using AiiDA.

A transport plugin allowing AiiDA to run calculations on Windows machines.