/tools/datamol

datamol

datamol-io/datamol

526 stars59 forksPythonWebsiteAdded February 4, 2026
summary

Datamol is a Python library that simplifies molecular processing by providing a user-friendly API built on RDKit. It allows users to manipulate molecular structures, generate conformers, and visualize molecules, making it a valuable tool for cheminformatics and drug discovery.

description

Molecular Processing Made Easy.

topics

pythonmoleculerdkitdrug-discoverydrug-designmoleculescheminformaticsmedicinal-chemistry

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