26 projects
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
aiidalab-widgets-base
Reusable widgets for AiiDAlab applications.
optimade
Tools for implementing and consuming OPTIMADE APIs.
aiida-cp2k
The official AiiDA plugin for CP2K.
aiida-core
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
aiidalab
Implements core functions of AiiDAlab.
cif2cell
Construct a unit cell from CIF data
aiida-zeopp
AiiDA plugin for zeo++
aiida-ddec
AiiDA plugin for DDEC code
aiida-raspa
AiiDA plugin for RASPA code
pgsu
Connect to an existing PostgreSQL cluster as a postgres superuser and execute SQL commands.
jsmol-bokeh-extension
bokeh extension for jsmol
aiida-diff
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
reentry
A plugin manager based on setuptools entry points mechanism
aiida
AiiDA: an automated interactive infrastructure and database for computational science
lammps-interface
Automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
aiida-lsmo
AiiDA workflows for the LSMO laboratory at EPFL
aiida-export-migration-tests
Export archives for migration tests for AiiDA
pgtest
Creates a temporary, local PostgreSQL database cluster and server for unittesting, and cleans up after itself
calc-pe
Calculator for the CO2 parasitic energy from CO2 and N2 isotherms
appmode-aiidalab
A Jupyter extensions that turns notebooks into web applications, with modifications for AiiDA lab.
aiida-qeq
AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).
idea-code
interacting Dynamic Electrons Approach
aiida-phtools
AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.
aiida-gudhi
AiiDA plugin for the [GUDHI](http://gudhi.gforge.inria.fr/) library for topological data analysis.
aiida-plugin-template
AiiDA plugin template for testing and getting started with development
