K=10,T=0.8: ; parser . add _ argument ( ' - - max _ epoch ' , type = int , default = 5 0 0 , help = ' maximum number of epochs ' ) ; parser . add _ argument ( ' - - _ stride ' , type = int , default = 1 , help = ' ' ) ; parser . add _ argument ( ' - - model ' , type = str , default = " " , help = ' model name ' ) ; )
K=10,T=0.8: ' ' ( and drop _ remainder is false ) . ' % ( batch _ size , key , data [ ' sizes ' ] [ key ] , ) ) def _ batch _ sets ( config : collections . config dict , data : dict [ str , any ] , drop _ remainder : bool ) : if data [ ' sizes ' ] [ ' train ' ] % config . batch _ dir _ _ ' _ )
K=10,T=0.8: ( dataset ) : with open ( ' generated _ smiles _ % s ' % dataset , ' rb ' ) as f : all _ smiles = set ( pickle . load ( f ) ) count = 0 for smiles in all _ smiles : mol = chem . mol from smiles ( smiles ) if mol is not none : count + = 1 return len ( all _ smiles ) , count ) . = _