Kekulization failed for some atoms.

zaixizhang / MGSSL

Official implementation of NeurIPS'21 paper"Motif-based Graph Self-Supervised Learning for Molecular Property Prediction"

Apache License 2.0

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Kekulization failed for some atoms. #16

Closed zoey731 closed 5 months ago

zoey731 commented 5 months ago

Thanks for your sharing! When I run the ''model_tree.py'' ,It has this error"Kekulization failed for some atoms.", and the resulting clique.txt that I run if I expect it is very different from the one you provided. How can I solve this problem?