(self, smiles)
return one_hot
Perform an enumeration (randomization) and vectorization of
        a Numpy array of smiles strings
        #Arguments
            smiles: Numpy array or Pandas series containing smiles as strings
Perform an enumeration (randomization) and vectorization of
        a Numpy array of smiles strings
        #Arguments
            smiles: Numpy array or Pandas series containing smiles as strings
Perform an enumeration ( randomization ) and vectorization of a Numpy array of smiles strings #Arguments smiles : Numpy array or Pandas series containing smiles as strings
def transform(self, smiles):
        """Perform an enumeration (randomization) and vectorization of
        a Numpy array of smiles strings
        #Arguments
            smiles: Numpy array or Pandas series containing smiles as strings
        """
        one_hot = np.zeros((smiles.shape[0], self.pad, self._charlen), dtype=np.int8)

        for i, ss in enumerate(smiles):
            if self.enumerate: ss = self.randomize_smiles(ss)
            for j, c in enumerate(ss):
                one_hot[i, j, self._char_to_int[c]] = 1
        return one_hot
def transform ( self , smiles ) : one_hot = np . zeros ( ( smiles . shape [ 0 ] , self . pad , self . _charlen ) , dtype = np . int8 ) for i , ss in enumerate ( smiles ) : if self . enumerate : ss = self . randomize_smiles ( ss ) for j , c in enumerate ( ss ) : one_hot [ i , j , self . _char_to_int [ c ] ] = 1 return one_hot