Latent Diffusion For Conditional Generation of Molecules
Benjamin Kaufman, Edward Williams, Ryan D. Pederson, Carl Underkoffler, Zahid Panjwani, Miles Wang-Henderson, Narbe Mardirossian, Matthew H. Katcher, Zack Strater, Jean-Marc Grandjean, Bryan Lee, John Parkhill
This paper introduces COATI-LDM, a latent diffusion model for generating drug-like small molecules with desired properties, showing improved control and diversity over existing methods.
bioRxiv · Aug 22, 2024 · PreprintBioinformatics