DL_PY2F: A library for Python-Fortran interoperability

An AiiDA plugin for the ChemShell multiscale computational chemistry software package.

OpenMM is a toolkit for molecular simulation using high performance GPU code.

NWChem: Open Source High-Performance Computational Chemistry

NWChem: Open Source High-Performance Computational Chemistry

Quantum chemistry and solid state physics software package

Repository for ARCHER2 documentation

A library that enables code interoperability via the MolSSI Driver Interface.

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

Molecular / atomic coordinate editor