Alternatives and similar repositories for pauxy

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

• block-hczhai / pyblock3-preview
  pyblock3: an efficient python block-sparse tensor library
  ☆28Updated 3 months ago
• JoonhoLee-Group / ipie
  ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
  ☆58Updated last month
• evangelistalab / qforte
  ☆55Updated last year
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆39Updated 2 years ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆37Updated 9 months ago
• block-hczhai / block2-preview
  Efficient parallel quantum chemistry DMRG in MPO formalism
  ☆91Updated last week
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆37Updated last month
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆58Updated 3 years ago
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆45Updated 9 months ago
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆13Updated this week
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆13Updated 7 years ago
• shuaigroup / Renormalizer
  Quantum dynamics package based on tensor network states
  ☆62Updated last week
• sanshar / Dice
  ☆59Updated 5 months ago
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆16Updated 12 years ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆13Updated 3 weeks ago
• WagnerGroup / pyqmc
  Python library for real space quantum Monte Carlo
  ☆95Updated last week
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆33Updated 3 weeks ago
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated last week
• fkfest / NECI_STABLE
  Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.
  ☆50Updated 2 years ago
• waltergu / HamiltonianPy
  Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.
  ☆39Updated 2 years ago
• edeprince3 / pdaggerq
  ☆52Updated last week
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 3 years ago
• quantum-tinkerer / qsymm
  A mirror of https://gitlab.kwant-project.org/qt/qsymm
  ☆40Updated last month
• bytedance / DeepSolid
  A library combining solid quantum Monte Carlo and neural network.
  ☆46Updated 11 months ago
• SebWouters / QC-DMET
  QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
  ☆46Updated 5 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆24Updated 5 months ago
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆72Updated 4 months ago
• liwt31 / SimpleMPS
  Matrix product states (MPS) based density matrix renormalization group (DMRG)
  ☆27Updated 2 years ago
• TRIQS / solid_dmft
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆38Updated 2 weeks ago