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AiiDA team's Projects

aiida-sssp icon aiida-sssp

AiiDA plugin for the Standard Solid State Pseudopotentials library

aiida-submission-controller icon aiida-submission-controller

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

aiida-upgrade icon aiida-upgrade

A tool to aide upgrades of plugins to new aiida-core version

aiida-wannier90-workflows icon aiida-wannier90-workflows

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

aiida_demos icon aiida_demos

A repository of examples, tutorials and demos to demonstrate AiiDA functionality

aiida_docker_compose icon aiida_docker_compose

Some examples of docker-compose configurations to start automatically AiiDA and all related services.

archive-path icon archive-path

A package to provide pathlib like access to zip & tar archives

disk-objectstore icon disk-objectstore

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

kiwipy icon kiwipy

A python messaging library for RPC, task queues and broadcasts

pgsu icon pgsu

Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands.

plumpy icon plumpy

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

qe-tools icon qe-tools

A set of useful tools for Quantum ESPRESSO

reentry icon reentry

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

topika icon topika

A simple tornado event loop wrapper for pika

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