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🧪 ML for Chemistry: Molecular GNN Property Predictor

Interactive graph neural network demo: watch message passing spread atom embeddings across a molecular graph over several rounds, then pool them into a predicted property with uncertainty.

Chemistry & Materials2DModerate60 FPS

⚙ Under the hood

Graph neural network demo on real small-molecule graphs (methanol, ethanol, acetone, benzene): watch atom embeddings spread over 2-5 rounds of message passing, then get mean-pooled into a predicted property value with an uncertainty band that tightens as rounds increase.

machine learninggraph neural networkgnnmessage passingmolecular property predictioncheminformaticschemistry

2D · HTML5 Canvas 2D · 60 FPS target · runs fully client-side, no install