8000 RuntimeError on generating descriptors · Issue #51 · ecrl/padelpy · GitHub
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RuntimeError on generating descriptors #51
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@sumone-compbio

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@sumone-compbio

Hi, I always get a runtime error on generating descriptors. I have a file of 7000 molecules with their smile entries. It stops after a few SMILES and gives runtime error. I tried to increase the the runtime and no. of threads but it did not work.

for smile in tqdm(smiles):
desc = from_smiles(smile, fingerprints=False, descriptors=True, threads=4)
Descriptors.append(desc)

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