guacamol icon indicating copy to clipboard operation
guacamol copied to clipboard

Something wrong in ranolazine_mpo() ?

Open CandyClass opened this issue 1 year ago • 0 comments

it says 'Make start_pop_ranolazine more polar and add a fluorine', but the code is: logP_under_4 = RdkitScoringFunction(descriptor=logP, score_modifier=MaxGaussianModifier(mu=7, sigma=1)) I guess logP_under_4 is a correct name stands for 'trying to minimize logP till its under 4', but the function uses MaxGaussianModifier with a mu=7, shouldn't that be MinGaussianModifier with a mu=4?

CandyClass avatar Feb 15 '23 05:02 CandyClass