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.
Publications
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
arXiv.org, 2023