1 code implementation • 6 Dec 2022 • Martin Vögele, Neil J. Thomson, Sang T. Truong, Jasper McAvity, Ulrich Zachariae, Ron O. Dror
PENSA implements various methods to systematically compare the distributions of these features across ensembles to find the significant differences between them and identify regions of interest.
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.
