91 dependents
Package Description Downloads/month
The official AiiDA plugin for Quantum ESPRESSO 12K
AiiDA plugin that simplifies working with pseudo potentials. 12K
Run Python functions on a remote computer. 9K
Efficiently design and manage flexible workflows with AiiDA, featuring an intera... 6K
AiiDA plugin that makes running shell commands easy. 5K
Reusable widgets for AiiDAlab applications 5K
AiiDA plugin for the Wannier90 code 3K
A collection of advanced automated workflows to compute Wannier functions using ... 3K
The official AiiDA plugin for Phonopy 2K
AiiDA plugin of the high-performance density functional theory code JuKKR (www.j... 2K
A plugin to AiiDA for running simulations with VASP 2K
The CP2K plugin for the AiiDA workflow and provenance engine. 2K
Some classes to help managing large number of submissions, while controlling the... 2K
AiiDA plugin for Gaussian quantum chemistry software 2K
sssp verification workflows 2K
AiiDA plugin for Bader charge analysis 2K
A plugin for running Wannier90 calculations inside the AiiDAlab Quantum ESPRESSO... 1K
A GROMACS plugin for AiiDA 1K
AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO. 1K
AiiDA plugins and workflows developed at nanotech@surfaces group from Empa. 1K
Package that integrates AiiDAlab with Electronic Laboratory Notebooks. 1K
AiiDA Plugin for running the FLEUR code and its input generator. Also includes h... 1K
A plugin to interface AIMAll with AiiDA 1K
Design flexible node-based workflow for AiiDA calculation. 1K
Expose an AiiDA database according to the [OPTIMADE API specification](https://w... 972
AiiDA plugin for zeo++ 883
Machine learning interatomic potentials AiiDA plugin 865
The official AiiDA plugin for NWChem 840
The Official AiiDA plugin for the cod-tools package. 835
AiiDA plugin for RASPA code 828
AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processe... 802
Package for the AiiDAlab QE app 762
AiiDA plugin that wraps amber molecular dynamics executables 747
AiiDA plugin for the Aurora platform. 697
AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF). 694
Translation layer for AiiDA-PyBigDFT 691
AiiDA plugin for the first-principles calculation of Hubbard parameters. 682
AiiDA plugin for the HyperQueue metascheduler. 674
The AiiDA plugin for ABINIT. 639
AiiDA plugin for core-level spectroscopy calculations with Quantum ESPRESSO. 633
The official AiiDA plugin for ASE. 599
AiiDA plugin provides the GroupPathX class 574
AiiDA data plugin for pandas DataFrame objects 550
AiiDA Plugin to run simulations with the ICON weather & climate model 505
AiiDA Plugin for ORCA 492
AiiDA workflow plugin for the ChemShell chemical modelling software package 485
OpenModel Wrapper Software Development Kit (SDK). 465
AiiDA plugin for the Supercell K-space Extremal Area Finder (SKEAF) code 454
AiiDA demo plugin that wraps the `diff` executable for computing the difference ... 449
Source code for the AiiDA-Siesta package (plugin and workflows). See wiki 441