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An open API service indexing awesome lists of open source software.

Projects in Awesome Lists by aiidateam

A curated list of projects in awesome lists by aiidateam .

https://github.com/aiidateam/aiida-common-workflows

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

aiida common-workflows dft

Last synced: 04 Apr 2025

https://github.com/aiidateam/aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

aiida quantum-espresso

Last synced: 05 Apr 2025

https://github.com/aiidateam/qe-tools

A set of useful tools for Quantum ESPRESSO

Last synced: 05 Apr 2025

https://github.com/aiidateam/aiida-tutorials

AiiDA tutorials web site

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-cp2k

The CP2K plugin for the AiiDA workflow and provenance engine.

Last synced: 05 Apr 2025

https://github.com/aiidateam/kiwipy

A python messaging library for RPC, task queues and broadcasts

python rabbitmq

Last synced: 10 Apr 2025

https://github.com/aiidateam/aiida-wannier90-workflows

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

Last synced: 07 Apr 2025

https://github.com/aiidateam/disk-objectstore

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

Last synced: 09 Apr 2025

https://github.com/aiidateam/aiida-registry

Find plugins for AiiDA

Last synced: 05 Apr 2025

https://github.com/aiidateam/aiida-workgraph

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

aiida database materials-science nodetree provenance-tracking science workflow

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-restapi

AiiDA Web API for data queries and workflow management.

graphql rest-api server

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-submission-controller

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

Last synced: 13 Apr 2025

https://github.com/aiidateam/plumpy

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

aiida python rabbitmq

Last synced: 07 Apr 2025

https://github.com/aiidateam/aiida-wannier90

AiiDA plugin for the Wannier90 code

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-plugin-cutter

Cookie cutter recipe for AiiDA plugins.

Last synced: 13 Apr 2025

https://github.com/aiidateam/acwf-verification-scripts

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

Last synced: 13 Apr 2025

https://github.com/aiidateam/archive-path

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

archive pathlib tar zip

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-test-cache

A pytest plugin to simplify testing of AiiDA plugins.

aiida pytest testing

Last synced: 13 Apr 2025

https://github.com/aiidateam/aep

AiiDA enhancement proposals

aiida

Last synced: 28 Apr 2025

https://github.com/aiidateam/aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler.

aiida metascheduler workflows

Last synced: 13 Apr 2025

https://github.com/aiidateam/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

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-optimade

OPTIMADE RESTful API implementation for AiiDA

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-explorer

A React component to explore AiiDA provenance

aiida data-provenance provenance

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-hubbard

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

dfpt dft hubbard

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-project

AiiDA project manager

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-sssp-workflow

sssp verification workflows

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-resource-registry

Resource registry for easy setup computer and code

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-atomistic

AiiDA plugin which contains data and methods for atomistic simulations.

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-nwchem

AiiDA plugin for NWChem

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-integration-tests

A repository for creating reproducible integration tests

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-firecrest

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

aiida-plugin firecrest

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-prerequisites

Docker image that contains all prerequisites allowing to run AiiDA.

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-max-examples

Examples of how to use MaX codes with AiiDA in the MARVEL Virtual Machine

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-code-registry

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

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-diff

AiiDA demo plugin that computes the difference between two files.

aiida-plugin

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-pythonjob

Run Python functions on a remote computer.

aiida hpc workflow

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-upgrade

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

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-ontology

Ontology of the AiiDA Graph

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-website

The primary website for AiiDA

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-qe-demo

A demonstration tutorial of using aiida-quantumespresso

Last synced: 04 Apr 2025

https://github.com/aiidateam/aiida-plugin-ci

A tool to test an aiida plugin (input creation, submission, ...) [still proof of concept]

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-tcod

The official AiiDA plugin for the TCOD

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-export-migration-tests

Test modules for migration of AiiDA export files

Last synced: 30 Mar 2025

https://github.com/aiidateam/jekyll-theme-slate

Custom Jekyll slate-theme

Last synced: 28 Apr 2025

https://github.com/aiidateam/topika

A simple tornado event loop wrapper for pika

amqp amqp-connection rabbitmq

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-plugin-migrator

Refactors AiiDA plugins for the transition from `aiida-core` v0.x to `aiida-core` v1.0

Last synced: 30 Mar 2025

https://github.com/aiidateam/pgsu

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

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-codtools

AiiDA plugin for COD tools

Last synced: 13 Apr 2025

https://github.com/aiidateam/team-compass

A repository for storing the AiiDA team roadmap

roadmap

Last synced: 30 Mar 2025

https://github.com/aiidateam/pylint-aiida

A small plugin for aiida-core related linting

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida_docker_compose

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

Last synced: 13 Apr 2025

https://github.com/aiidateam/aiida-statistics-query

Compute statistics of AiiDA databases

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-archive

Prototyping for a new archive format

Last synced: 30 Mar 2025

https://github.com/aiidateam/aiida-support

Place to store files and notebooks to support AiiDA users.

Last synced: 30 Mar 2025