20 projects
aiida-core
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
aiida-wannier90-workflows
Advanced AiiDA workflows for Wannier90
plumpy
A Python workflow library.
disk_objectstore
An implementation of an efficient object store that writes directly on disk.
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
scwidgets
A collection of widgets to prepare interactive scientific visualisations, including user code input and validation
kiwipy
Robust, high-volume, message based communication made easy.
qe-tools
A set of useful tools to manage Quantum ESPRESSO files.
big-map-archive-api-client
A CLI app to interact with BIG-MAP Archive data repositories
pgsu
Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands.
aiida-wannier90
AiiDA Plugin for the Wannier90 code
aiida-ase
The official AiiDA plugin for ASE.
aiida-nwchem
The official AiiDA plugin for NWChem
seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
aiida-codtools
The Official AiiDA plugin for the cod-tools package.
aiida-diff
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
aiida
AiiDA: an automated interactive infrastructure and database for computational science
tools-barebone
A base scaffolding to create online web tools
aiida-export-migration-tests
Export archives for migration tests for AiiDA
jhproxy
A port proxy for JupyterHub when using the DockerSpawner, optionally with (token-based) authorization.
