Renormalization Code in GAMESS

Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages

Utility for the perturbation of molecular orbitals delivered by standard quantum chemical packages

Molecule and Basis Set Tools for pulsar

MM code for QM people

A plugin of psi4 for improved virtual orbital (STEX)

Integral library multiplexer for electronic structure theory

A general library for solving self-consistent field problems

Quantum Monte Carlo

Niedoida is a general-purpose quantum-chemical and microelectrostatic package

Extension library for internal quantum-chemical calculations, provides GW-BSE modules and support for exciton dynamics.

Lightweight (restricted) Hartree-Fock program for calculating wavefunction values

A program for calculating the MP2D dispersion energy.

The mainline development distribution for QWalk

an experimental grid based 1D SCF+SDCI program

A Psi4 plugin for https://github.com/berquist/libresponse

Official public repository for the XtalOpt crystallographic evolutionary algorithm

MPMC++ | This is the MPMC (github.com/mpmccode/mpmc) molecular simulator rewritten in C++ in order to add the ability to integrate Feynman Path Integrals and "multi-system" stat mech ensembles (e.g. Gibbs).