1 code implementation • 2 May 2023 • Minkai Xu, Alexander Powers, Ron Dror, Stefano Ermon, Jure Leskovec
Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design.
3 code implementations • 7 Dec 2020 • Raphael J. L. Townshend, Martin Vögele, Patricia Suriana, Alexander Derry, Alexander Powers, Yianni Laloudakis, Sidhika Balachandar, Bowen Jing, Brandon Anderson, Stephan Eismann, Risi Kondor, Russ B. Altman, Ron O. Dror
We implement several classes of three-dimensional molecular learning methods for each of these tasks and show that they consistently improve performance relative to methods based on one- and two-dimensional representations.