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SMILE interpreter in python #2087

Answered by njzjz
BiocharModeling asked this question in Q&A
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The SMILES in Python is generated by RDKit. Sadly, per rdkit/rdkit#6613, RDKit fills all atoms with implicit Hs, and there's no option to disable it.

The SMILES in HTML is converted by a regex rule

https://github.com/tongzhugroup/reacnetgenerator/blob/b5a16eb90cdf1eca03738218eba5044d2f151fec/reacnetgenerator/_reachtml.py#L69-L99

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