Alternatives and similar repositories for qmd-progress

Users that are interested in qmd-progress are comparing it to the libraries listed below

• nomad-coe / greenX
  Library for Green’s function based electronic structure theory calculations
  ☆26Updated 3 months ago
• lanl / LATTE
  Developer repository for the LATTE code
  ☆46Updated 5 months ago
• ebylaska / PWDFT
  Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software
  ☆14Updated last week
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆41Updated last month
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆34Updated 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…
  ☆50Updated last week
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• pernalk / GAMMCOR
  gammcor code
  ☆11Updated 7 months ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆28Updated this week
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 7 years ago
• f-fathurrahman / ffr-PWDFT
  A poor man's density functional theory program
  ☆13Updated 10 months ago
• digital-chemistry-laboratory / libdlfind
  libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library
  ☆19Updated last year
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆28Updated this week
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• filippolipparini / ddPCM
  A fast domain decomposition based implementation of the COSMO solvation model
  ☆15Updated 5 years ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 3 weeks ago
• libwfa / libwfa
  Wave-function analysis tool library
  ☆28Updated 11 months ago
• LLNL / TopoMS
  Topological Analysis for Molecular Systems
  ☆17Updated 6 years ago
• 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
• MOLFDIR / MOLFDIR
  Program for Molecular Fock Dirac calculations
  ☆12Updated 5 years ago
• BoothGroup / dyson
  Dyson equation solvers for Green's function methods
  ☆10Updated 3 weeks ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆11Updated 3 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆44Updated 2 months ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆70Updated 3 weeks ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• certik / dftatom
  Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations
  ☆81Updated 8 months ago
• NWChemEx / NWChemEx
  A top-level, user-focused, conglomerate repo for the NWChemEx project.
  ☆13Updated last month
• nmardirossian / PySCF_Tutorial
  ☆30Updated 7 years ago
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆41Updated 2 months ago