SimilarityMaps.GetSimilarityMapForModel runs for ever when using count fingerprints?

[JanoschMenke]

Hi people,

I was just wondering whether the behavior of GetSimilarityMapForModel is expected or I maybe made a mistake.
When using fpType = "bv" everything is fine, however when I want to use count fingerprints fpType = "count", the code just runs for a very long time.
Its this behavior expected?

from rdkit.Chem import AllChem as Chem
from rdkit.Chem import rdFingerprintGenerator
import sklearn
import pickle
import pandas as pd
import numpy as np
from typing import List, Dict
import pickle

from rdkit.Chem import Draw
from rdkit.Chem.Draw import SimilarityMaps
from functools import partial


# Ithis is the qsar model I could quickly find for someone to test, I am not sure if it uses the same nBits size as specified in this script
!wget https://github.com/tblaschke/Reinvent-2.0/blob/master/data/drd2.pkl
with open('drd2.pkl', 'rb') as f:
    drd2_model = pickle.load(f)

def get_pred(fp, pred_function):
    fp = np.array([list(fp)])
    return pred_function(fp)[0][1]

mol = Chem.MolFromSmiles("CCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC")
fpType = "count" 

fpfunc = partial(
    SimilarityMaps.GetMorganFingerprint,
    nBits=2048,
    radius=3,
    fpType=fpType,
)

d = Draw.MolDraw2DCairo(400, 400)
SimilarityMaps.GetSimilarityMapForModel(
    mol,
    fpfunc,
    lambda x: get_pred(x, drd2_model.predict_proba),
    draw2d=d,
)



d.FinishDrawing()