A modern framework for computational chemistry methods, with a focus on quantum chemistry and electronic structure theory. OCC aims to provide a flexible, efficient, and maintainable platform for implementing and applying quantum chemical methods.

Features include Hartree-Fock, DFT, and post-HF methods for molecular systems, along with visualization capabilities and integration with other computational chemistry tools.

A software tool for analysis and visualization of molecular crystal structures. CrystalExplorer enables researchers to explore intermolecular interactions, characterize crystal packing, and compute properties of crystalline materials.

The software provides advanced visualization of Hirshfeld surfaces, interaction energies, and other properties relevant to understanding molecular crystal structures and their properties.

A python library for wrangling molecules, crystals, Hirshfeld & promolecule density isosurfaces, spherical harmonic shape descriptors and more...