Alternatives and similar repositories for build-instructions

Users that are interested in build-instructions are comparing it to the libraries listed below

• fspiga / qe-gpu
  GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN
  ☆65Updated 5 years ago
• ECP-copa / CabanaMD
  Molecular dynamics proxy application based on Cabana
  ☆21Updated 10 months ago
• hfp / xconfigure
  High-Performance configuration patterns and recipes.
  ☆45Updated last week
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated last month
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated 2 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, …
  ☆41Updated 3 weeks ago
• pyiron / executorlib
  Up-scale python functions for high-performance computing (HPC)
  ☆58Updated last week
• exalearn / colmena
  Library for steering campaigns of simulations on supercomputers
  ☆59Updated 6 months ago
• Mantevo / miniMD
  MiniMD Molecular Dynamics Mini-App
  ☆52Updated 9 months ago
• llnl / mgmol
  MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…
  ☆43Updated last week
• libnegf / libnegf
  ☆21Updated last week
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆39Updated last week
• MRChemSoft / mrcpp
  MultiResolution Computation Program Package
  ☆12Updated 2 weeks ago
• electronic-structure / SIRIUS
  Domain specific library for electronic structure calculations
  ☆159Updated last week
• cp2k / dbcsr
  DBCSR: Distributed Block Compressed Sparse Row matrix library
  ☆147Updated last week
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆28Updated last month
• espressopp / espressopp
  Main ESPResSo++ repository
  ☆45Updated 2 weeks ago
• hpc-uk / archer-benchmarks
  ☆32Updated 11 months ago
• dftfeDevelopers / dftfe
  DFT-FE: Real-space DFT calculations using Finite Elements
  ☆152Updated 2 months ago
• FZJ-JSC / JUBE
  The JUBE benchmarking environment provides a script based framework to easily create benchmark sets, run those sets on different computer…
  ☆42Updated last year
• 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
• pseewald / fortran-einsum-example
  A generic implementation of tensor einsum in Fortran.
  ☆30Updated 4 years ago
• scafacos / scafacos
  ScaFaCoS library for Fast Coulomb Solvers
  ☆30Updated 10 months ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆29Updated 2 years ago
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆83Updated 11 months ago
• DmitryLyakh / TAL_SH
  Tensor Algebra Library Routines for Shared Memory Systems
  ☆39Updated 2 years ago
• egplar / vasptest
  A test suite for the VASP electronic structure code
  ☆39Updated 11 years ago
• NWChemEx / TAMM
  Tensor Algebra for many-body methods
  ☆19Updated last month
• QMCPACK / miniqmc
  QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…
  ☆27Updated last year
• ExaChem / exachem
  Open Source Exascale Quantum Chemistry Software
  ☆29Updated last month