Alternatives and similar repositories for nwchem-git-svn-deprecated

Users that are interested in nwchem-git-svn-deprecated are comparing it to the libraries listed below

• MolSSI / MIRP
  MolSSI Integral Reference Project
  ☆25Updated 4 years ago
• usnistgov / feasst
  The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…
  ☆40Updated last week
• PCMSolver / pcmsolver
  An API for the Polarizable Continuum Model
  ☆33Updated 2 years ago
• votca / xtp
  GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…
  ☆29Updated 3 years ago
• jturney / ambit
  C++ library for the implementation of tensor product calculations through a clean, concise user interface.
  ☆23Updated last year
• abinit / pseudo_dojo
  Python framework for generating and validating pseudo potentials
  ☆44Updated last year
• ilyak / libefp
  Parallel implementation of the Effective Fragment Potential Method
  ☆25Updated 3 years ago
• ben-albrecht / qcl
  Quantum Chemistry Laboratory package
  ☆20Updated 3 years ago
• simint-chem / simint-generator
  Code generator for simint vectorized integrals
  ☆28Updated 2 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆43Updated last week
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 3 years ago
• LCPQ / quantum_package
  Set of quantum chemistry programs and libraries
  ☆44Updated 4 years ago
• MRChemSoft / mrchem
  MultiResolution Chemistry
  ☆33Updated last month
• susilehtola / HelFEM
  Finite element methods for electronic structure calculations on small systems
  ☆39Updated last week
• hande-qmc / hande
  Open source stochastic quantum chemistry
  ☆76Updated 2 months ago
• patonlab / FullMonte
  Automated Monte Carlo Conformational Searching with Python
  ☆17Updated 4 years ago
• dftlibs / numgrid
  Numerical integration grid for molecules.
  ☆50Updated 8 months ago
• devinamatthews / aquarius
  Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …
  ☆28Updated last year
• molsturm / molsturm
  A modular electronic structure theory code
  ☆21Updated 6 years ago
• loriab / qcdb
  Databases and Interoperability in Quantum Chemistry
  ☆13Updated 7 years ago
• MolSSI / QCSchema
  A Schema for Quantum Chemistry
  ☆99Updated 2 years ago
• gabrielelanaro / chemview
  The new generation molecular viewer for IPython notebook
  ☆82Updated 5 years ago
• brettbode / wxmacmolplt
  wxMacMolPlt is a graphical user interface principally for the GAMESS program
  ☆31Updated last year
• teixeirafilipe / vibAnalysis
  Tools for performing vibrational analysis on molecular systems.
  ☆17Updated last year
• dftd3 / simple-dftd3
  Library first implementation of the D3 dispersion correction
  ☆66Updated last month
• shirtsgroup / checkensemble
  This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …
  ☆14Updated 7 years ago
• miaoyipu / quick
  QUICK, a GPU-enabled ab intio quantum chemistry software. Now move to the main branch: https://github.com/merzlab/QUICK
  ☆10Updated 10 years ago
• LLNL / inq
  This is a mirror. Please check our main website on gitlab.
  ☆29Updated last month
• berquist / rchem
  Ab initio quantum chemistry in Rust from scratch
  ☆12Updated this week
• rpmuller / pyquante2
  Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.
  ☆155Updated last year