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 9 months ago
• sanshar / Dice
  ☆48Updated last month
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆74Updated 2 months ago
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆70Updated 3 years ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆46Updated 9 months ago
• TREX-CoE / trexio
  TREX I/O library
  ☆49Updated 2 months ago
• evangelistalab / forte
  ☆57Updated this week
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated 2 months ago
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆33Updated this week
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆37Updated 3 weeks ago
• ghb24 / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆45Updated last year
• edeprince3 / pdaggerq
  ☆50Updated this week
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆41Updated 3 months ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆14Updated 8 months ago
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆45Updated last month
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆56Updated 3 years ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆33Updated 4 months 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…
  ☆48Updated this week
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆95Updated last month
• evangelistalab / qforte
  ☆51Updated 6 months ago
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆30Updated 2 weeks ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆27Updated last year
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆34Updated this week
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆35Updated this week
• pyscf / pyscf.github.io
  PySCF website and documentation
  ☆27Updated last month
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years ago
• qcscine / qcmaquis
  Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
  ☆35Updated last month