no code implementations • 22 Nov 2023 • Tomasz Danel, Jan Łęski, Sabina Podlewska, Igor T. Podolak
Despite the great popularity of virtual screening of existing compound libraries, the search for new potential drug candidates also takes advantage of generative protocols, where new compound suggestions are enumerated using various algorithms.
1 code implementation • 6 Apr 2019 • Łukasz Struski, Michał Sadowski, Tomasz Danel, Jacek Tabor, Igor T. Podolak
In the case of geodesics, we search for the curves with the shortest length, while in the case of generative models we typically apply linear interpolation in the latent space.