Alternatives and similar repositories for qmcchem2

Users that are interested in qmcchem2 are comparing it to the libraries listed below

• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated 2 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated 11 months ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆19Updated last week
• TREX-CoE / trexio
  TREX I/O library
  ☆51Updated 2 weeks ago
• xubwa / socutils
  ☆11Updated this week
• TREX-CoE / aiida-qp2
  AiiDA plugin for Quantum Package 2.0
  ☆13Updated last year
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 3 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated last week
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated 2 weeks ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated 9 months ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated this week
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated 2 weeks ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆22Updated last week
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆15Updated 2 months ago
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆16Updated last year
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated last week
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆39Updated 2 weeks ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 6 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 11 months ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆11Updated last year
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆28Updated 2 years ago
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 7 years ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆35Updated last month
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated this week
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 11 months ago
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago