Alternatives and similar repositories for fanpy:

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

• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆26Updated last year
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 6 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last month
• nmayhall-vt / FermiCG
  ☆11Updated 5 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated 3 weeks ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆22Updated 9 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
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 7 months ago
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆15Updated last year
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆19Updated 7 months ago
• cc-ats / qed-tddft
  Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis
  ☆14Updated last year
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated this week
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆35Updated last year
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆37Updated 3 weeks ago
• f-fathurrahman / ImplementingDFT
  Draft for my book about implementing density functional theory
  ☆18Updated 2 weeks ago
• FermiQC / GaussianBasis.jl
  Package to handle integrals over Gaussian-type atomic orbitals.
  ☆29Updated 8 months ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated this week
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆26Updated last year
• FermiQC / Lints.jl
  Libint2 interface to Julia
  ☆13Updated 4 years ago
• stefabat / MolecularIntegrals
  A step-by-step tutorial to code the McMurchie-Davidson scheme to compute molecular integrals
  ☆10Updated 3 years ago
• fevangelista / CHEM532-ElectronicStructure-Notes
  Notes on Electronic Structure Theory (CHEM532)
  ☆25Updated 3 weeks ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• block-hczhai / pyblock3-preview
  pyblock3: an efficient python block-sparse tensor library
  ☆21Updated 8 months ago