Alternatives and similar repositories for qp2:

Users that are interested in qp2 are comparing it to the libraries listed below

• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated 10 months ago
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆70Updated 3 years ago
• sanshar / Dice
  ☆50Updated 3 months ago
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆74Updated 2 weeks ago
• ghb24 / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆45Updated last year
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last month
• evangelistalab / forte
  ☆58Updated 2 weeks ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆48Updated 3 weeks ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆39Updated last week
• edeprince3 / pdaggerq
  ☆51Updated 3 weeks ago
• TREX-CoE / trexio
  TREX I/O library
  ☆50Updated 3 months ago
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆44Updated 3 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆28Updated last year
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated 3 weeks ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• block-hczhai / block2-preview
  Efficient parallel quantum chemistry DMRG in MPO formalism
  ☆80Updated last week
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 3 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆35Updated 2 weeks ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆42Updated last month
• qcscine / qcmaquis
  Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
  ☆37Updated last month
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆14Updated 10 months ago
• evangelistalab / qforte
  ☆52Updated 7 months ago
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆15Updated 11 years ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated 6 months ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated this week
• ValeevGroup / libintx
  ☆20Updated 4 months ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆96Updated 2 months ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆36Updated this week
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆33Updated last month