Alternatives and similar repositories for py-qc-book

Users that are interested in py-qc-book are comparing it to the libraries listed below

• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 3 years ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆32Updated 3 years ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 7 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆11Updated 8 months ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated last week
• bytedance / byteqc
  ☆98Updated 4 months ago
• shuaigroup / Renormalizer
  Quantum dynamics package based on tensor network states
  ☆62Updated 2 months ago
• Quantum-Dynamics-Hub / libra-code
  ☆52Updated this week
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 8 months ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆83Updated last year
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated this week
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated 3 weeks ago
• sanshar / Dice
  ☆58Updated 4 months ago
• evangelistalab / forte
  ☆59Updated 3 months ago
• ajz34 / Py_xDH
  Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization
  ☆67Updated 2 months ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆41Updated last week
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆35Updated 2 weeks ago
• zglan / JADE-NAMD
  JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
  ☆19Updated 4 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 4 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆32Updated 2 years ago
• hungpham2017 / pyWannier90
  A Wannier90 python interface for VASP and PySCF
  ☆40Updated this week
• rjdirisio / pyvibdmc
  A general purpose library to study vibrational problems using diffusion monte carlo
  ☆17Updated last year
• EACcodes / PROFESS
  PRinceton Orbital-Free Electronic Structure Software
  ☆30Updated 5 years ago
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆38Updated 6 years ago
• skmin-lab / unixmd
  ☆23Updated 3 months ago
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆99Updated 8 months ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆38Updated 2 years ago
• Walter-Feng / Hartree-Fock-in-CPP
  Hartree-Fock code written in full C++ standard
  ☆28Updated last year