I just stumbled across this and thought I’d flag it.

VeloxChem is a Python-based open source quantum chemistry software developed for the calculation of molecular properties and simulation of a variety of spectroscopies.

VeloxChem features interactive program access through Jupyter notebooks as well as large-scale calculations in contemporary high-performance computing (HPC) environments.

It can be installed under macOS using conda https://veloxchem.org/docs/installation.html#installing-on-macos

Source code is available on GitLab https://gitlab.com/veloxchem/veloxchem

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