Alternatives and similar repositories for xtp

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

• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated last month
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆43Updated last week
• lanl / LATTE
  Developer repository for the LATTE code
  ☆45Updated 2 months ago
• RMGDFT / rmgdft
  RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…
  ☆48Updated 2 weeks ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆29Updated last month
• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆25Updated 4 years ago
• libmbd / libmbd
  Many-body dispersion library
  ☆55Updated 8 months ago
• wavefunction91 / GauXC
  GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …
  ☆35Updated last month
• grimme-lab / qc2-teaching
  Resources for teaching quantum chemistry courses in Bonn
  ☆41Updated 3 weeks ago
• CPMD-code / CPMD
  The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…
  ☆41Updated 2 years ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆49Updated 8 months ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• OrderN / CONQUEST-release
  Full public release of large scale and linear scaling DFT code CONQUEST
  ☆110Updated 2 weeks ago
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆39Updated this week
• susilehtola / erkale
  ERKALE -- HF/DFT from Hel
  ☆50Updated 2 weeks ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated 4 months ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated last year
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated 2 years ago
• dftlibs / xcfun
  XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
  ☆60Updated 2 years ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• lanl / hippynn
  python library for atomistic machine learning
  ☆81Updated last week
• Jonas-Finkler / ewald-summation
  Efficient and easy to use fortran implementation of the Ewald summation method
  ☆14Updated last year
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆73Updated last month
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated 8 months ago
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆66Updated last month
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆76Updated 2 months ago
• ExaChem / exachem
  Open Source Exascale Computational Chemistry Software
  ☆25Updated this week
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆44Updated last year
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated 7 months ago
• qboxcode / qbox-public
  Qbox public repository
  ☆35Updated 2 months ago