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aiidateam
aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

12K 81 99
pyiron
atomistics

Interfaces for atomistic simulation codes and workflows

4K 10 4
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
janberges
elphmod

Python modules for electron-phonon models

1K 38 9
costrouc
dftfit

Interatomic potential creating using DFT training data.

1K 27 9
aiidalab
aiidalab-qe

Package for the AiiDAlab QE app

762 27 23
aiidaplugins
aiida-qe-xspec

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

633 0 1
pipidog
dfttoolbox

A toolbox for quickly build inputs and analyze results of DFT codes

476 45 19
QMatSuite
qmatsuite

Quantum Visualization Interacting Toolkit for Ab-initio Simulations

455 77 13
superstar54
xespresso

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

427 17 9
sgsaenger
vipster

Visualization and editing of periodic molecular structure files.

391 28 7
epfl-theos
koopmans

Koopmans spectral functional calculations with python and Quantum ESPRESSO

260 17 7
EgorcaA
qeview

Tool to help you analyze and visualize the results from Quantum Espresso (Band structure BS, DOS, pDOS) and Wannier90

238 3 0
aiidateam
aiida-quantumespresso-test

The official AiiDA plugin for Quantum ESPRESSO

144 81 99
tilde-lab
tilde

Materials informatics framework for ab initio data repositories

96 18 4
rgaveiga
qeijo

Lightweight library to easily launch ab initio calculations with Quantum Espresso.

45 1 0
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