93 projects with the selected classifier
AiiDA plugin for the LAMMPS code
OpenModel Wrapper Software Development Kit (SDK).
Utilities for controlling submission flow in AiiDA
The official AiiDA plugin for WIEN2k.
AiiDA plugin that simplifies working with pseudo potentials.
AiiDA plugin to allow using `fireworks` as the execution engine for `CalcJob`.
AiiDA plugin providing support for Plumed2
Voilà/Jupyter client for searching through OPTIMADE databases.
YAMBO plugin and workflows for AiiDA
Plugin to combine Wannier90 interpolations with GW corrections computed by Yambo
AiiDA plugin for the spirit code
An AiiDA environment manager
Car-Parrinello Work Chain with Quantum Espresso. This workchain does a full CP simulation, from the choice of the electronic mass and the timestep, to the choice of the best parallelization options, and then it does the NPT equilibration and a final NVE simulation at the prescribed P and T. Automates as much as possible.
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
Custodian based VASP Plugin for AiiDA
Package that integrates AiiDAlab with Electronic Laboratory Notebooks.
AiiDA plugin that provides a storage backend using an S3 object store as the file repository.
Yet another computing scheduler and cloud orchestration engine
AiiDA Plugin for applying strain to structures
AiiDA scheduler plugins that allow for `conda run`.
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