AiiDA team

The official repository for the AiiDA code

Python tools for Quantum ESPRESSO

The official AiiDA plugin for Quantum ESPRESSO

A Plugin Manager that acts as a drop-in replacement for pkg_resources in cases where distribution integrity checks can reasonably be traded for speed

Find plugins for AiiDA

A pytest plugin to simplify testing of AiiDA plugins.

The primary website for AiiDA

A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code

AiiDA plugin which contains data and methods for atomistic simulations.

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.

Run Python functions on a remote computer.

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

A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.

Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification

A React component to explore AiiDA provenance

AiiDA Web API for data queries and workflow management.

Efficiently control the execution of AiiDA processes.

Web UI to visualize and manage the AiiDA.

GitHub Action for continuous benchmarking to keep performance

sssp verification workflows

No description provided.

A python messaging library for RPC, task queues and broadcasts

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

AiiDA plugin that makes running shell commands easy.

Self-consistent onsite and intersite Hubbard parameters from first-principles

A repository for the implementation of common workflow interfaces across materials-science codes and plugins

Advanced workflows for the PHonon code of Quantum ESPRESSO

AiiDA plugin for the Wannier90 code

Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time

AiiDA project manager