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EncodeSECFPMolsBulk function (docs throws the following error:
TypeError: No to_python (by-value) converter found for C++ type: std::vector<ExplicitBitVect, std::allocator<ExplicitBitVect> >
This always happens for me, for any input. EncodeSECFPMols in a loop works. In particular, this example Jupyter Notebook from UGM 2020 featuring SECFP also works for single molecules, but not in bulk version.
The same happens for SMILES-based bulk function for SECFP.
To Reproduce
Use this function for any number of molecules in Python.
Configuration (please complete the following information):
RDKit version: 2023.9.5
OS: Ubuntu 22.04
Python version (if relevant): 3.11
Are you using conda? no
If you are not using conda: how did you install the RDKit? pip
The text was updated successfully, but these errors were encountered:
Describe the bug
EncodeSECFPMolsBulk
function (docs throws the following error:This always happens for me, for any input.
EncodeSECFPMols
in a loop works. In particular, this example Jupyter Notebook from UGM 2020 featuring SECFP also works for single molecules, but not in bulk version.The same happens for SMILES-based bulk function for SECFP.
To Reproduce
Use this function for any number of molecules in Python.
Configuration (please complete the following information):
The text was updated successfully, but these errors were encountered: