Alternatives and similar repositories for webGavrog

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

• odf / gavrog
  Generation, analysis and visualization of reticular ornaments using Gavrog.
  ☆36Updated 2 years ago
• NLESC-JCER / QMCTorch
  Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
  ☆29Updated 8 months ago
• block-hczhai / block2-preview
  Efficient parallel quantum chemistry DMRG in MPO formalism
  ☆98Updated 2 weeks ago
• WagnerGroup / pyqmc
  Python library for real space quantum Monte Carlo
  ☆99Updated last week
• theochem / horton
  HORTON: Helpful Open-source Research TOol for N-fermion systems
  ☆100Updated 11 months ago
• SebWouters / QC-DMET
  QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
  ☆47Updated 5 years ago
• LCPQ / qcmath
  Mathematica modules for electronic structure calculations
  ☆36Updated 2 years ago
• risi-kondor / Snob2
  ☆16Updated 11 months ago
• fishjojo / pyscfad
  PySCF with auto-differentiation
  ☆93Updated last week
• XanaduAI / GradDFT
  GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…
  ☆112Updated last year
• MesoscienceLab / mesohops
  This is a package developed in the Mesoscience Lab to perform Hierarchy of Pure State (HOPS) calculations using an adaptive basis that pr…
  ☆16Updated 3 months ago
• fevangelista / wicked
  A Wick theorem kernel written in C++ and interfaced with Python
  ☆49Updated last year
• kcl-tscm / mff
  A Python package for building nonparametric force fields from machine learning
  ☆16Updated 5 years ago
• binggu56 / pyqed
  Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…
  ☆21Updated last week
• lin-lin / 2018Fall_275
  Mathematical Introduction to Electronic Structure Theory
  ☆47Updated 7 years ago
• QMCPACK / qmc_workshop_2021
  Files for QMC Workshop 2021
  ☆60Updated 4 years ago
• tehruhn / bofin
  BoFiN HEOM Python version.
  ☆17Updated 2 years ago
• QMCPACK / qmcpack_workshop_2019
  QMCPACK Users Workshop 2019
  ☆13Updated 6 years ago
• f-fathurrahman / PWDFT.jl
  Plane wave density functional theory using Julia programming language
  ☆121Updated this week
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆79Updated last month
• evangelistalab / qforte
  ☆55Updated last year
• peastman / statmech
  ☆136Updated 7 years ago
• bytedance / DeepSolid
  A library combining solid quantum Monte Carlo and neural network.
  ☆49Updated last year
• PabloAMC / TFermion
  A non-Clifford gate cost assessment library of quantum phase estimation algorithms for quantum chemistry
  ☆14Updated 3 years ago
• SebWouters / CheMPS2
  CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
  ☆73Updated 6 months ago
• HopTB / HopTB.jl
  Tight-binding package written in Julia
  ☆62Updated 2 years ago
• jeanwsr / S-O-MQC-HW
  Solutions for Modern Quantum Chemistry, Szabo & Ostlund
  ☆100Updated 11 months ago
• FermiQC / Fermi.jl
  Fermi quantum chemistry program
  ☆162Updated 7 months ago
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆53Updated last week
• lin-lin / Quantum290
  Quantum 290 Seminar from 2020 Fall - ongoing
  ☆37Updated this week