Author: Alexandra Volokhova

Against equilibrium molecular conformation era with GFlowNets

Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00023D, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Alexandra Volokhova, Michał Koziarski, Alex Hernández-García, Cheng-Hao Liu, Santiago Miret, Pablo Lemos, Luca Thiede, Zichao Yan, Alán Aspuru-Guzik, Yoshua BengioGFlowNets allow for sampling diverse,