Thank you for the great work. I was interested in the results from the manuscript and tried to load the raw result data downloaded from zenodo. However, the scale and other descriptive statistics of the strain energy data do not match what is found in the manuscript. Of course the clash files contain the mol objects which I can use to calculate the strain energy, but the process is quite slow. Did you apply some transformation on the strain energy before saving?
Thank you for the great work. I was interested in the results from the manuscript and tried to load the raw result data downloaded from zenodo. However, the scale and other descriptive statistics of the strain energy data do not match what is found in the manuscript. Of course the clash files contain the mol objects which I can use to calculate the strain energy, but the process is quite slow. Did you apply some transformation on the strain energy before saving?