About This Application
Welcome to the Molecular Diffusion Model Turing Test Game.
This interactive application is designed to evaluate generative diffusion models for molecules. Our goal is to provide both an engaging user experience and valuable research insights.
The game challenges you to distinguish between original molecules and those generated by the model. Your selections help us improve and analyze the performance of these models.
How does our model work?
Our AI diffusion model that generates molecules is a new approach called Constrained Collaborative Graph Diffusion model (CoCoGraph) that applies a key mechanism to instruct a valence constraint on the generation of molecules. The model is trained on a dataset of 1.7M molecules and it predicts the double edge swapping to be applied to the molecular graph during each step of the generation process.
The model is able to generate realistic and diverse molecules that are 100% chemically valid and with a high diversity and novelty. Also, the generated molecules are State of the Art in terms of similarity to the molecular properties of the original molecules.
How does the game work?
The game is designed to be played by biochemistry students and professionals (no registration required!).
Every round, you will be presented with a pair of molecules with the same molecular formula — one original and one generated by our AI diffusion model. Your task is to identify the original molecule based on its structure. And select it by clicking on the molecule. Test your molecular intuition!
You will play 20 rounds and at the end of the game, you will be able to see the results and the feedback from the AI diffusion model.