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  1. Enhanced-ADME-Tox-Pipeline Enhanced-ADME-Tox-Pipeline Public

    A comprehensive Python-based computational chemistry tool for predicting Absorption, Distribution, Metabolism, Excretion, and Toxicity properties of small molecules.

    Python 1

  2. Automated-Molecular-Docking-Pipeline Automated-Molecular-Docking-Pipeline Public

    Automated molecular docking pipeline using AutoDock Vina and Open Babel. Processes multiple ligands against a protein receptor with batch processing, pose generation, and complex creation. Perfect …

    Shell