Alternatives and similar repositories for ase-espresso

Users that are interested in ase-espresso are comparing it to the libraries listed below

• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆67Updated 7 months ago
• ltalirz / asetk
  Toolkit using the Atomistic Simulation Environment (ASE)
  ☆20Updated 5 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆70Updated 3 months ago
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 7 years ago
• Quantum-Dynamics-Hub / libra-code
  ☆51Updated this week
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆75Updated last year
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆92Updated 3 months ago
• JohnKendrick / PDielec
  PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra
  ☆13Updated 2 months ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated last year
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆138Updated 5 months ago
• aiidateam / qe-tools
  A set of useful tools for Quantum ESPRESSO
  ☆33Updated 2 months ago
• BerkeleyGW / BGWpy
  BerkeleyGW python
  ☆31Updated 3 years ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated last year
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆95Updated last month
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆68Updated 3 weeks ago
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆84Updated 2 years ago
• UppASD / UppASD
  The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.
  ☆92Updated this week
• WMD-group / Phonons
  A collection of structures, force constants and phonon data obtained from first-principles calculations
  ☆40Updated 4 years ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆55Updated this week
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆100Updated 4 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆125Updated last week
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆37Updated 9 years ago
• orex / supercell
  The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.
  ☆102Updated last year
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆87Updated last year
• aoterodelaroza / critic2
  Analysis of quantum chemical interactions in molecules and solids.
  ☆110Updated this week
• Z2PackDev / TBmodels
  A tool for creating and manipulating tight-binding models.
  ☆40Updated 5 months ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆43Updated 2 years ago
• yuzie007 / upho
  Band unfolding for phonons
  ☆56Updated 10 months ago
• biklooost / PROPhet
  PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches
  ☆65Updated 7 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆87Updated 3 weeks ago