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I wrote a very simple SMILES parser using pyparsing https://github.com/dakoner/smilesparser/tree/master https://github.com/dakoner/smilesparser/tree/master I wo

by dekhn 1y ago

I wrote a very simple SMILES parser using pyparsing https://github.com/dakoner/smilesparser/tree/master https://github.com/dakoner/smilesparser/tree/master I wouldn't say it's intended for production work, but it has been useful in situations where I didn't want to pull in rdkit.

dalke 1y ago
I see you include the dot disconnect "." as part of the Bond definition. You also define Chain as: Chain <<= pp.Group(pp.Optional(Bond) + pp.Or([Atom, RingClosure])) I believe this means your grammar allows the invalid SMILES C=.N