/tools/pysmiles
pysmiles
pckroon/pysmiles
162 stars24 forksPythonAdded February 4, 2026
summary
Pysmiles is a lightweight Python library designed for reading and writing SMILES strings, which are used to represent molecular structures. It allows users to create and manipulate molecular graphs, making it a useful tool in cheminformatics.
description
A lightweight python-only library for reading and writing SMILES strings
topics
smiles-stringswriting-smilessmilescheminformaticspythonhacktoberfest
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