Boost.Python.ArgumentError: Python argument types in rdkit.Chem.rdMolDescriptors.GetMorganFingerprintAsBitVect(NoneType, int)
时间: 2024-05-24 11:10:48 浏览: 272
This error message indicates that there is a problem with the input arguments to the GetMorganFingerprintAsBitVect function from the RDKit module. Specifically, the first argument (the molecule object) is of type NoneType, which means that it is not a valid molecule object. The second argument (the radius of the fingerprint) is an integer, which is the correct type.
To fix this error, you need to make sure that the first argument is a valid molecule object. Check that the molecule object is being properly initialized or loaded before passing it to the function. If the molecule object is still NoneType after initialization or loading, then there may be an issue with the file or data source.
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