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Prospero1988 / AutoDock_vina_pipeline

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This repository provides an automated docking solution for ligands and receptor proteins using AutoDock Vina and P2Rank, enhanced with a Streamlit-based web interface for simple and intuitive browser-based operation. It supports high-throughput workflows and includes SLURM integration for advanced task management while remaining easy to use locally

gui pipeline python3 docking web-interface drug-design user-experience ligand-screening docking-library high-throughput-screening autodock-vina streamlit p2rank webbrowserlike
  • Updated Dec 12, 2024
  • Python

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