Showing 1 open source project for "optimize"

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    MolPrep

    RDkit-based Molecule Optimization Tool (CLI) in python.

    MolPrep is a powerful utility application designed to streamline the preparation and refinement of molecular geometries. With the help of RDKit, this tool enables users to load, clean, standardize, and optimize molecular structures effortlessly. Its robust design ensures scalability and efficiency, making it ideal for chemoinformatics workflows.
    Downloads: 0 This Week
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