• Stars
    star
    1
  • Language
    Python
  • License
    MIT License
  • Created over 2 years ago
  • Updated 2 months ago

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

The primary website for AiiDA

More Repositories

1

aiida-core

The official repository for the AiiDA code
Python
432
star
2

aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO
Python
55
star
3

aiida-common-workflows

A repository for the implementation of common workflow interfaces across materials-science codes and plugins
Python
52
star
4

qe-tools

A set of useful tools for Quantum ESPRESSO
Python
29
star
5

aiida-tutorials

AiiDA tutorials web site
Shell
23
star
6

aiida-cp2k

The CP2K plugin for the AiiDA workflow and provenance engine.
Python
22
star
7

aiida-registry

Find plugins for AiiDA
Python
16
star
8

aiida-wannier90-workflows

A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
Python
16
star
9

kiwipy

A python messaging library for RPC, task queues and broadcasts
Python
15
star
10

disk-objectstore

An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server
Python
15
star
11

aiida-restapi

AiiDA Web API for data queries and workflow management.
Python
10
star
12

aiida-wannier90

AiiDA plugin for the Wannier90 code
Python
9
star
13

aiida-submission-controller

Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time
Python
8
star
14

aiida-plugin-cutter

Cookie cutter recipe for AiiDA plugins.
Python
8
star
15

plumpy

A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.
Python
8
star
16

archive-path

A package to provide pathlib like access to zip & tar archives
Python
6
star
17

aiida-optimade

OPTIMADE RESTful API implementation for AiiDA
Python
6
star
18

acwf-verification-scripts

Scripts to run and perform data analysis on the AiiDA common workflows (ACWF) subproject on verification
Python
6
star
19

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
Python
6
star
20

aiida-testing

A pytest plugin to simplify testing of AiiDA plugins.
Python
5
star
21

aiida-pseudo

Python
5
star
22

aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler.
Python
4
star
23

aiida-project

AiiDA project manager
Python
3
star
24

aiida-integration-tests

A repository for creating reproducible integration tests
Python
3
star
25

aiida-tutorials-latex

A collection of AiiDA tutorials
TeX
3
star
26

aiida-sssp-workflow

sssp verification workflows
Python
3
star
27

aiida-quantumespresso-hp

Python
3
star
28

aiida-atomistic

AiiDA plugin which contains data and methods for atomistic simulations.
Python
3
star
29

aiida-diff

AiiDA demo plugin that computes the difference between two files.
Python
2
star
30

AEP

AiiDA enhancement proposals
TeX
2
star
31

aiida-prerequisites

Docker image that contains all prerequisites allowing to run AiiDA.
Shell
2
star
32

aiida-code-registry

Registry of simulation codes and computers for easy setup in AiiDA.
Python
2
star
33

aiida-nwchem

AiiDA plugin for NWChem
Python
2
star
34

aiida-max-examples

Examples of how to use MaX codes with AiiDA in the MARVEL Virtual Machine
Jupyter Notebook
2
star
35

aiida-resource-registry

Resource registry for easy setup computer and code
Python
2
star
36

aiida-export-migration-tests

Test modules for migration of AiiDA export files
Python
1
star
37

aiida-plugin-template

AiiDA plugin template for testing and getting started with development
Python
1
star
38

aiida-blog

Single page or other short miscelaneous documentation
1
star
39

aiida-upgrade

A tool to aide upgrades of plugins to new aiida-core version
Python
1
star
40

aiida-ontology

Ontology of the AiiDA Graph
1
star
41

aiida-qe-demo

A demonstration tutorial of using aiida-quantumespresso
Jupyter Notebook
1
star