/tools/MolVS

MolVS

mcs07/MolVS

180 stars57 forksPythonWebsiteAdded February 4, 2026
summary

MolVS is a Python-based tool that focuses on the validation and standardization of chemical structures. It utilizes the RDKit framework to enhance data quality by standardizing representations, helping with de-duplication, and identifying relationships between molecules.

description

Molecule Validation and Standardization

topics

rdkitpythonchemistrycheminformaticsstandardizationvalidation

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