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Quantum Espresso Python Packages

Python packages with the GitHub topic quantum-espresso. Sorted by relevance, with stars and monthly downloads.
aiidateam
aiida-quantumespresso

The official AiiDA plugin for Quantum ESPRESSO

13K 83 101
pyiron
atomistics

Interfaces for atomistic simulation codes and workflows

4K 10 4
superstar54
aiida-bader

Collections of node-based workflow created using aiida-workgraph.

3K 2 1
aiidalab
aiidalab-qe-wannier90

Web GUI for Quantum ESPRESSO and Wannier90 calculations in AiiDA.

2K 0 5
aiidaplugins
aiida-qe-xspec

An AiiDA plugin designed for core-level spectroscopy calculations using Quantum ESPRESSO

1K 0 2
aiidalab
aiidalab-qe

AiiDAlab App for Quantum ESPRESSO

926 29 23
costrouc
dftfit

Ab-Initio Molecular Dynamics Potential Development

828 28 9
janberges
elphmod

Python modules for electron–phonon models

823 38 9
pipidog
dfttoolbox

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

525 45 19
superstar54
xespresso

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

348 17 9
QMatSuite
qmatsuite

QMatSuite calculation backend and automation toolkit for Quantum ESPRESSO and related engines.

320 77 13
sgsaenger
vipster

Visualization and editing of periodic molecular structure files.

310 28 7
aiidateam
aiida-quantumespresso-test

The official AiiDA plugin for Quantum ESPRESSO

209 83 101
EgorcaA
qeview

Quantum Espresso Analysis and Visualization Tool

205 3 0
epfl-theos
koopmans

Implementation of Koopmans-compliant functionals in Quantum ESPRESSO

203 17 7
tilde-lab
tilde

Materials informatics framework for ab initio data repositories

101 18 4
rgaveiga
qeijo

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

48 1 0
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