RegioSQM 2.0.1 for Python 3.8
Tested and cross-checked version of RegioSQM for a local deployment with current Python 3.8.6, OpenBabel 3.0.1, RDKit 2019.03; and MOPAC2016 (20.173L, Jun 2020). Compared to the seminal publication, the predicted patterns differ only for about 9%; overall, there is no systematic improvement / worsening of the predictions observed.