AgenticPosesRanker ranks docking poses using six deterministic physical tools and LLM reasoning, achieving 50% best-pose accuracy that matches the Smina baseline on a balanced 10-system, 162-pose benchmark.
Comparative assessment of scoring functions: The CASF-2016 update.Journal of Chemical Information and Modeling, 59(2):895–913, 2019
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AgenticPosesRanker: An Agentic AI Framework for Physically Grounded Ranking of Protein-Ligand Docking Poses
AgenticPosesRanker ranks docking poses using six deterministic physical tools and LLM reasoning, achieving 50% best-pose accuracy that matches the Smina baseline on a balanced 10-system, 162-pose benchmark.