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Datamol provides a lightweight, intuitive interface for RDKit, enabling developers and researchers to perform complex molecular operations with sensible defaults and efficient parallelization. It streamlines essential cheminformatics tasks such as molecular format conversion, structure standardization, descriptor calculation, and 3D conformer generation. By returning native RDKit objects, it ensures full compatibility with the broader chemical informatics ecosystem while providing modern features like cloud storage support and batch processing for large-scale datasets.
