Alternatives and similar repositories for qe-gpu

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

• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated 2 months ago
• hfp / xconfigure
  High-Performance configuration patterns and recipes.
  ☆45Updated last week
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆40Updated last week
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆84Updated last year
• lanl / LATTE
  Developer repository for the LATTE code
  ☆48Updated 4 months ago
• hpc-uk / build-instructions
  Contains build scripts and instructions for software on a variety of UK HPC resources
  ☆89Updated 2 weeks ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆55Updated this week
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 4 years ago
• libnegf / libnegf
  ☆22Updated last month
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆28Updated 2 months ago
• electronic-structure / SIRIUS
  Domain specific library for electronic structure calculations
  ☆161Updated this week
• dftfeDevelopers / dftfe
  DFT-FE: Real-space DFT calculations using Finite Elements
  ☆153Updated last week
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆29Updated 2 years ago
• scafacos / scafacos
  ScaFaCoS library for Fast Coulomb Solvers
  ☆30Updated 11 months ago
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆46Updated this week
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated last month
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆79Updated last month
• llnl / qball
  Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, mole…
  ☆45Updated last year
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆48Updated 8 years ago
• richard-evans / vampire
  Atomistic simulator for magnetic materials
  ☆148Updated this week
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆126Updated last week
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆51Updated 2 years ago
• espressopp / espressopp
  Main ESPResSo++ repository
  ☆45Updated this week
• llnl / TopoMS
  Topological Analysis for Molecular Systems
  ☆17Updated 6 years ago
• exciting / exciting
  The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…
  ☆68Updated this week
• wavefunction91 / ExchCXX
  Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
  ☆28Updated 2 weeks ago
• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆61Updated 3 years ago
• computationalmodelling / fidimag
  Finite DIfference microMAGnetic code, based on Python, Cython and C
  ☆69Updated 3 months ago
• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆19Updated 3 months ago
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆31Updated 2 months ago