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Only One Conjugated Group (Hyperedge) Detected by RDKit #1

@duydl

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@duydl

Only One Conjugated Group (Hyperedge) Detected by RDKit

I noticed that the search for conjugated groups to construct hyperedges is implemented using rdkit at this method in the repository.

def he_conj(mol):

However, in my experimentation, as demonstrated in the brief notebook below, only one conjugated group is detected in many cases where I expected more.

https://gist.github.com/duydl/8eeb553d6c4227a5f3ab722a1f2147bb

Could you please confirm if my understanding of the implementation is correct? Might there be a need for an adjustment in the detection logic?

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