Alternatives and similar repositories for aiidalab-qe

Users that are interested in aiidalab-qe are comparing it to the libraries listed below

• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆20Updated last month
• aiidateam / qe-tools
  A set of useful tools for Quantum ESPRESSO
  ☆33Updated this week
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆38Updated 7 years ago
• msg-byu / autoGR
  Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
  ☆40Updated last year
• aiidateam / aiida-common-workflows
  A repository for the implementation of common workflow interfaces across materials-science codes and plugins
  ☆54Updated 10 months ago
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆56Updated last week
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 3 years ago
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆85Updated this week
• ashtonmv / pyrho
  A real-space DFT code
  ☆16Updated 4 years ago
• aiida-phonopy / aiida-phonopy
  Phonons for AiiDA
  ☆20Updated 3 weeks ago
• aiidateam / aiida-wannier90
  AiiDA plugin for the Wannier90 code
  ☆11Updated last year
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆38Updated 7 months ago
• aiidalab / aiidalab
  Implements core functions for AiiDAlab.
  ☆16Updated this week
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆51Updated 2 years ago
• jabl / vasputil
  Command-line utilities and Python libraries designed to make life with VASP easier
  ☆56Updated 6 years ago
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated last week
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆96Updated last week
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 4 months ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated this week
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆31Updated 3 years ago
• sphuber / aiida-shell
  AiiDA plugin that makes running shell commands easy.
  ☆15Updated 4 months ago
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆142Updated 6 months ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆26Updated 2 years ago
• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆46Updated 8 months ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated last year
• yuzie007 / upho
  Band unfolding for phonons
  ☆57Updated 11 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆57Updated last month
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 4 months ago
• aoterodelaroza / gibbs2
  Thermodynamics of solids in the quasiharmonic approximation.
  ☆38Updated last week
• microsoft / aiida-dynamic-workflows
  An AiiDA plugin for dynamically defining workflows using Python functions
  ☆17Updated 3 years ago