ImportError：没有名为deepmolecule.rdkit_utils的模块

Question

When I tried to python running, I got the error that ImportError: No module named deepmolecule.rdkit_utils

so I search about "deepmolecule.rdkit_utils" at google, but there are no exist about that module information.

How can I solve this problem?

This is importing modules in the python script file.

import csv
import subprocess
import numpy as np
import numpy.random as npr
import matplotlib.pyplot as plt
import copy

from deepmolecule.rdkit_utils import smile_to_fp
from rdkit.Chem import Descriptors
from rdkit import Chem
from rdkit.Chem import rdMolDescriptors

Answer 1

Apparently, the module got renamed to neuralfingerprint and is called nfp at pypi . Hence, you can install the module by running pip install nfp in your shell. Note that you might need to change the name of the module in your script.