Interactive Quantum Chemistry Enabled by Machine Learning, Graphical Processing Units, and Cloud Computing
Umberto Raucci, Hayley Weir, Sukolsak Sakshuwong, Stefan Seritan, Colton Hicks, Fabio Vannucci, Francesco Rea, and Todd J. Martínez
This repository contains template scripts to reproduce the examples reported in the paper
In each folder there is a readme.txt with detailed instructions to run the scripts
If you have comments or questions please send an email to umbertoraucci [at] yahoo it