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aiidateam
plumpy

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

43K 9 20
aiidateam
aiida-core

The official repository for the AiiDA code

34K 561 258
aiidateam
aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

12K 81 99
aiidateam
aiida-pythonjob

Run Python functions on a remote computer.

9K 2 6
aiidalab
aiidalab

Implements core functions for AiiDAlab.

6K 16 17
aiidateam
aiida-workgraph

Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.

6K 27 15
sphuber
aiida-shell

AiiDA plugin that makes running shell commands easy.

5K 17 8
aiida-phonopy
aiida-phonopy

The official AiiDA plugin for Phonopy

2K 21 20
JuDFTteam
aiida-kkr

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

2K 16 10
aiida-vasp
aiida-vasp

A plugin to AiiDA for running simulations with VASP

2K 63 53
superstar54
aiida-bader

AiiDA plugin for Bader charge analysis

2K 2 1
aiidalab
aiidalab-qe-wannier90

A plugin for running Wannier90 calculations inside the AiiDAlab Quantum ESPRESSO App.

1K 0 5
JuDFTteam
aiida-fleur

AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workchains and utilities

1K 15 8
osscar-org
widget-bandsplot

A Jupyter widget to plot band structure and density of states.

1K 17 6
zhubonan
aiida-castep

AiiDA plugin for CASTEP

1K 7 5
aiidateam
aiida-gui

Design flexible node-based workflow for AiiDA calculation.

1K 3 3
aiidateam
aiida-hyperqueue

AiiDA plugin for the HyperQueue metascheduler.

674 8 12
aiidaplugins
aiida-qe-xspec

AiiDA plugin for core-level spectroscopy calculations with Quantum ESPRESSO.

633 0 1
janssenhenning
aiida-dataframe

AiiDA data plugin for pandas DataFrame objects

550 5 1
aiidaplugins
aiida-skeaf

AiiDA plugin for the Supercell K-space Extremal Area Finder (SKEAF) code

454 0 1
ethan-shanahan
aiida-fans

AiiDA plugin for FANS, an FFT-based homogenization solver.

418 3 1
aiidaplugins
aiida-lammps

LAMMPS plugin for AiiDA

399 29 16
aiidateam
aiida-workgraph-web-ui

Web UI to visualize and manage the AiiDA.

375 3 3
dev-zero
aiida-graphql

Strawberry-based GraphQL API Server for AiiDA

350 2 0
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