Alternatives and similar repositories for qe-gpu-plugin

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

• 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
• fspiga / qe-gpu
  GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
  ☆65Updated 6 years ago
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆51Updated 2 years ago
• dylan-jayatilaka / tonto
  for Quantum Crystallography
  ☆27Updated last month
• OpenMD / OpenMD
  Molecular Dynamics in the Open
  ☆85Updated 3 months ago
• ben-albrecht / qcl
  Quantum Chemistry Laboratory package
  ☆20Updated 3 years ago
• QEF / q-e_schrodinger
  Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
  ☆19Updated last year
• lanl / LATTE
  Developer repository for the LATTE code
  ☆49Updated this week
• joaander / hoomd-blue
  ☆19Updated 3 years ago
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆14Updated this week
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆52Updated 2 weeks 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 last week
• ValeevGroup / mpqc
  The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time i…
  ☆78Updated 2 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated last month
• qboxcode / qbox-public
  Qbox public repository
  ☆37Updated 9 months ago
• lanl / qmd-progress
  PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
  ☆27Updated this week
• jturney / ambit
  C++ library for the implementation of tensor product calculations through a clean, concise user interface.
  ☆26Updated 2 years ago
• hfp / xconfigure
  High-Performance configuration patterns and recipes.
  ☆45Updated this week
• alesgenova / pbcpy
  Python package providing some useful tools when dealing with molecules and materials under periodic boundary conditions and uniform grids…
  ☆19Updated 5 years ago
• 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
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆40Updated this week
• mlund / faunus
  A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
  ☆72Updated last week
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆84Updated last year
• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆61Updated 3 years ago
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆29Updated 4 years ago
• i-pi / i-pi-archive
  A Universal Force Engine
  ☆36Updated 7 years ago
• jkitchin / dft-course
  Course repository for 06-640 - Molecular simulation
  ☆25Updated 13 years ago
• ashtonmv / twod_materials
  High throughput workflow tools for characterizing 2D materials in VASP.
  ☆22Updated 2 years ago
• ValeevGroup / libintx
  ☆25Updated 3 months ago
• NWChemEx / TAMM
  Tensor Algebra for many-body methods
  ☆19Updated this week