Not sure if this makes sense for what molnet was meant for. But for my purposes it was necessary to normalize the molnet score. Please feel free to ignore if that doesn't fit the larger molnet context!
In my code, to get scores between 0 and 1, I performed sqrt normalisation of the data beforehand. Happy to include this route too, but how about having an option (normalise = False)? Probably neater?
Not sure if this makes sense for what molnet was meant for. But for my purposes it was necessary to normalize the molnet score. Please feel free to ignore if that doesn't fit the larger molnet context!