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high-throughput-docking

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Deon-07 / Automated-Molecular-Docking-Pipeline

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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 for high-throughput virtual screening and drug discovery research.

bioinformatics cheminformatics structural-biology protein-ligand-docking computational-biology drug-design batch-processing virtual-screening molecular-modeling autodock-vina bash-automation open-babel high-throughput-docking
  • Updated Oct 27, 2025
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