sunqm/libcint

Domain specific library for electronic structure calculations

Python module for quantum chemistry

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

Python package for compiling and analyzing quantum algorithms to simulate electronic structures.

Quantum chemistry program executor and IO standardizer (QCSchema).

An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations

Molecular Orbital PACkage

Skala exchange-correlation functional

Light-weight tight-binding framework