OdorSig: Automated Molecular Docking Pipeline

OdorSig is a fully automated, open-source Python pipeline for reproducible olfactory receptor-odorant molecular docking analysis. The system integrates AutoDock Vina, Open Babel, PyMOL, Biopython, and Streamlit to deliver an end-to-end workflow requiring only receptor and ligand names as input. Applied to 480 receptor-odorant pairs across 40 human olfactory receptors and 12 structurally diverse odorants, OdorSig implements multi-run reproducibility scoring by reporting mean binding energy and standard deviation for every pair. Developed as part of PhD research in digital olfaction at IIT Mandi, CHCi Lab.