RegioSelect is a web application for the prediction of C-H activation.
TRY RegioSelect here: http://www.regioselect.org
For the installation, we recommend using conda to get all the necessary dependencies:
conda env create -f etc/environment_regioselect.yml && conda activate regioselect
Then download the binaries of xTB version 6.5.1:
cd regioselect/scripts/dep/; tar -xvf ./xtb-6.5.1-linux-x86_64.tar.xz; cd ../../..