Alternatives and similar repositories for Vayesta

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

• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 2 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated last year
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 6 months ago
• sanshar / Dice
  ☆55Updated last month
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆37Updated 2 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated last week
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated 2 months ago
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆20Updated 8 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆28Updated this week
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆16Updated 2 years ago
• xubwa / socutils
  ☆13Updated last month
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated 11 months ago
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆15Updated 12 years ago
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 3 months ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated last year
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆11Updated last year
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆36Updated this week
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 7 years ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 7 years ago
• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated 2 weeks ago
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 3 weeks ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated 3 weeks ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆43Updated 2 months ago
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆16Updated 4 months ago
• evangelistalab / forte
  ☆58Updated last month
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 5 months ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆52Updated last month