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15 search results found

Aiida Core ⭐ 392

The official repository for the AiiDA code

Aiida Quantumespresso ⭐ 52

The official AiiDA plugin for Quantum ESPRESSO

Aiida Common Workflows ⭐ 47

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

Aiida Vasp ⭐ 42

A plugin to AiiDA for running simulations with VASP

Aiida Lammps ⭐ 20

LAMMPS plugin for AiiDA

Aiida Phonopy ⭐ 16

Phonon for AiiDA

Aiidalab ⭐ 14

Implements core functions for AiiDAlab.

Aiida Kkr ⭐ 13

AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.

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

Aiidalab Docker Stack ⭐ 9

Docker images with the basic software stack for AiiDAlab

Aiida Shell ⭐ 7

AiiDA plugin that makes running shell commands easy.

Aiida Castep ⭐ 6

Interface with AiiDA to automate CASTEP calculations and preserve their provenance.

Aiida Dataframe ⭐ 5

AiiDA data plugin for pandas DataFrame objects

Widget Bandsplot ⭐ 5

A Jupyter widget to plot bandstructure and density of states.

Aiida Jutools ⭐ 5

Tools for simplifying daily work with the AiiDA workflow engine

Related Searches

Python Aiida (12)

Materials Science Aiida (5)

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Plugin Aiida (3)

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