Generative AI for Molecules

Recently, we have been working on building generative models for molecules. You can check out our first foray into this area in our recent "3D molecule generation by denoising voxel grids" paper. We are working on building equivariant neural networks for this task.


3D molecule generation by denoising voxel grids

Pedro H. O. Pinheiro, Joshua A. Rackers, J. Kleinhenz, Michael Maser, O. Mahmood, Andrew Watkins, Stephen Ra, Vishnu Sresht, Saeed Saremi, 2023


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