April 29, 2024 In Unkategorisiert
Against equilibrium molecular conformation era with GFlowNets
Digital Discovery, 2024, Advance ArticleDOI: 10.1039/D4DD00023D, Paper Open Access   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,