Molcas/OpenMolcas

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

Quantum Package : a programming environment for wave function methods

Molecular Orbital PACkage

PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.

Python module for quantum chemistry

An efficient and fully parallelized pure python DFT and electronic structure code with GPU acceleration through just-in-time compilation

NWChem: Open Source High-Performance Computational Chemistry

Orbital transfer and automatic multi-reference calculation for quantum chemistry

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support