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ERROR|Error generating fingerprints for . Traceback (most recent call last):

Open PARODBE opened this issue 4 years ago • 2 comments

Hi,

I am trying to generate fingerprintvectors 3d following this github "https://github.com/iwatobipen/3dfp/blob/master/sample_script.ipynb" and I get the next error. Captura

could you help me please?

Thanks Pablo

PARODBE avatar Feb 10 '21 10:02 PARODBE

@PARODBE sorry for the late reply. There's insufficient information here for me to replicate the issue. At the bare minimum, please provide a minimum code example including SMILES or a file containing the molecule that failed.

sethaxen avatar Jun 02 '22 00:06 sethaxen

@sethaxen Hi! I had the same issue and it was due to empty string in _Name property of the rdkit molecule. Maybe this information will help to fix it.

ELitvinova avatar Jun 14 '22 11:06 ELitvinova