Alternatives and similar repositories for pyqmc

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

• shuaigroup / Renormalizer
  Quantum dynamics package based on tensor network states
  ☆62Updated last week
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆57Updated 3 years ago
• evangelistalab / qforte
  ☆55Updated 11 months ago
• bytedance / DeepSolid
  A library combining solid quantum Monte Carlo and neural network.
  ☆43Updated 8 months ago
• JoonhoLee-Group / ipie
  ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
  ☆57Updated 2 months ago
• block-hczhai / block2-preview
  Efficient parallel quantum chemistry DMRG in MPO formalism
  ☆87Updated last week
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆84Updated last week
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆37Updated 2 years ago
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆70Updated last month
• sanshar / Dice
  ☆55Updated 2 months ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 7 months ago
• block-hczhai / pyblock3-preview
  pyblock3: an efficient python block-sparse tensor library
  ☆28Updated 2 weeks ago
• XanaduAI / GradDFT
  GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…
  ☆103Updated last year
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated last week
• mstsuite / MuST
  Multiple Scattering Theory code for first principles calculations
  ☆68Updated 2 weeks ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated last year
• pauxy-qmc / pauxy
  Python Based Auxiliary-Field Quantum Monte Carlo
  ☆27Updated last year
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆44Updated 6 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• edeprince3 / pdaggerq
  ☆51Updated 4 months ago
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆42Updated 5 years ago
• santoshkumarradha / pysktb
  Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
  ☆54Updated last year
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated this week
• quantum-tinkerer / qsymm
  A mirror of https://gitlab.kwant-project.org/qt/qsymm
  ☆39Updated 2 months ago
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆106Updated last month
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆28Updated 3 months ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• evangelistalab / forte
  ☆59Updated last month
• mailhexu / TB2J
  a python package for computing magnetic interaction parameters
  ☆82Updated last week
• sunqm / py-qc-book
  ☆32Updated 10 months ago