MolHub

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.