Alternatives and similar repositories for CheMPS2

Users that are interested in CheMPS2 are comparing it to the libraries listed below

• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆83Updated last year
• sanshar / Dice
  ☆59Updated 5 months ago
• evangelistalab / forte
  ☆59Updated 4 months ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆54Updated 4 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated last month
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆37Updated last month
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆56Updated last month
• QuantumPackage / qp2
  Quantum Package : a programming environment for wave function methods
  ☆77Updated 2 weeks ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆33Updated 2 weeks ago
• fkfest / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆50Updated 2 years ago
• erikkjellgren / SlowQuant
  ☆48Updated last week
• qcscine / qcmaquis
  Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
  ☆44Updated 2 months ago
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆99Updated 9 months ago
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆45Updated 9 months ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆37Updated 9 months ago
• TREX-CoE / trexio
  TREX I/O library
  ☆61Updated 2 months ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated 2 weeks ago
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆76Updated 3 weeks ago
• edeprince3 / pdaggerq
  ☆52Updated last week
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated last year
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• block-hczhai / block2-preview
  Efficient parallel quantum chemistry DMRG in MPO formalism
  ☆90Updated this week
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆45Updated 4 months ago
• JoonhoLee-Group / ipie
  ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
  ☆58Updated 3 weeks ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 3 years ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆42Updated 5 years ago
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated this week
• SebWouters / QC-DMET
  QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
  ☆43Updated 5 years ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆38Updated 6 years ago