Fix AttributeError when installing QM9 dataset#10625
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prajwalnayaka wants to merge 1 commit intopyg-team:masterfrom
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Fix AttributeError when installing QM9 dataset#10625prajwalnayaka wants to merge 1 commit intopyg-team:masterfrom
prajwalnayaka wants to merge 1 commit intopyg-team:masterfrom
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Added a safety check to skip molecules that RDKit fails to parse (returning None), preventing a crash when calling GetNumAtoms().
prajwalnayaka
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akihironitta,
rusty1s and
wsad1
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When downloading the QM9 dataset, the script encounters complex and very strained molecules which RDKit cannot parse; since it cannot successfully parse the molecule
mol, its as aNoneTypeobject. TheAttributeErroris thrown when the function tries to call theGetNumAtoms()on theNoneTypemoleculemol.This fix adds a safety check to skip molecules that RDKit fails to parse (returning None), preventing a crash when calling GetNumAtoms().