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@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.
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.
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could you help me please?
Thanks
Pablo
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