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
  ☆63Updated 5 years ago
• ECP-copa / CabanaMD
  Molecular dynamics proxy application based on Cabana
  ☆21Updated 7 months ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated this week
• mstsuite / lsms
  LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.
  ☆28Updated 3 weeks ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆34Updated 3 weeks ago
• hfp / xconfigure
  High-Performance configuration patterns and recipes.
  ☆45Updated this week
• electronic-structure / SIRIUS
  Domain specific library for electronic structure calculations
  ☆151Updated this week
• libnegf / libnegf
  ☆21Updated 3 weeks 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, …
  ☆36Updated 3 weeks 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
• pyiron / executorlib
  Up-scale python functions for high-performance computing (HPC)
  ☆52Updated this week
• MRChemSoft / mrcpp
  MultiResolution Computation Program Package
  ☆12Updated 6 months ago
• ExaChem / exachem
  Open Source Exascale Quantum Chemistry Software
  ☆28Updated this week
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆45Updated 2 months ago
• vincent-maillou / serinv
  Selected Decomposition Routines
  ☆18Updated last month
• 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
• dftfeDevelopers / dftfe
  DFT-FE: Real-space DFT calculations using Finite Elements
  ☆148Updated last week
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆50Updated this week
• fortrancon / workshop2020
  Material for the workshop at FortranCon 2020
  ☆19Updated 5 years ago
• sandialabs / TChem
  TChem - A Software Toolkit for the Analysis of Complex Kinetic Models
  ☆63Updated last month
• scafacos / scafacos
  ScaFaCoS library for Fast Coulomb Solvers
  ☆30Updated 7 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
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• william-dawson / NTPoly
  A massively parallel library for computing the functions of sparse matrices.
  ☆24Updated 3 months ago
• cp2k / dbcsr
  DBCSR: Distributed Block Compressed Sparse Row matrix library
  ☆144Updated this week
• exalearn / colmena
  Library for steering campaigns of simulations on supercomputers
  ☆58Updated 4 months ago
• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆27Updated 4 months ago
• egplar / vasptest
  A test suite for the VASP electronic structure code
  ☆39Updated 11 years ago
• ORNL-CEES / thermochimica
  Computational library for chemical thermodynamics and phase equilibrium calculation. Multiphysics and standalone estimations of chemical …
  ☆56Updated last month
• espressopp / espressopp
  Main ESPResSo++ repository
  ☆45Updated 10 months ago