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MolHub
AI agent that designs and docks molecules
3 votes·1 comment·Jun 9, 2026
About
MolHub is a browser-based drug-discovery workspace. Describe a goal and Copilot runs the campaign: it grounds on known actives (ChEMBL), designs novel molecules, triages them for drug-likeness/synthesizability/novelty, and auto-docks the best against the target's AlphaFold structure (AutoDock Vina) — returning a ranked shortlist with rationale. Built on open science. Free for academics.