Reinforcement Learning, Evolutionary Algorithms, Biophysics, Drug Discovery, Biology.
function parameters found here are not necessarily a good choice for virtual screening for outcomes like binding affinity, as I did not consider outcome metrics other than RMSD in the problem formulation. The terms of the Smina scoring function are: gauss(o=0,_w=0.5,_c=8) gauss(o=3,_w=2,_c=8)