Alternatives and similar repositories for rest

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

• igor-1982 / xDH4Gau
  A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)
  ☆15Updated 2 years ago
• abacusmodeling / LibRI
  ☆15Updated last month
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆30Updated 2 years ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• John-zzh / pyscf_TDDFT_ris
  efficient TDDFT-ris based on MOKIT and PySCF
  ☆17Updated 4 months ago
• sunqm / py-qc-book
  ☆32Updated 8 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 6 years ago
• YiHeXu517 / Kylin-V
  TD-DMRG and VHCI package
  ☆10Updated this week
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 4 months ago
• John-zzh / TDDFT_Davidson
  a demonstration of Davidson eigensolver for TDA and TDDFT problem based on PySCF
  ☆11Updated 9 months ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 2 years ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆23Updated last month
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆40Updated last month
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated this week
• rjdirisio / pyvibdmc
  A general purpose library to study vibrational problems using diffusion monte carlo
  ☆17Updated 8 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆29Updated 2 years ago
• theochem / PyCI
  A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
  ☆20Updated 2 months ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆23Updated 2 weeks ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 3 weeks ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆17Updated 3 weeks ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 4 months ago
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆15Updated 2 months ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆11Updated last year