Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

ERROR|Error generating fingerprints for . Traceback (most recent call last): #55

Open
PARODBE opened this issue Feb 10, 2021 · 2 comments

Comments

@PARODBE
Copy link

PARODBE commented Feb 10, 2021

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

@sethaxen
Copy link
Collaborator

sethaxen commented Jun 2, 2022

@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.

@ELitvinova
Copy link

@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.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

3 participants