Towards equilibrium molecular conformation generation with GFlowNets

Towards equilibrium molecular conformation generation with GFlowNets

20 October 2023

Alexandra Volokhova

Michal Koziarski

Alex Hernández-García

Alán Aspuru-Guzik

Papers citing "Towards equilibrium molecular conformation generation with GFlowNets"

4 / 4 papers shown

Title
From discrete-time policies to continuous-time diffusion samplers: Asymptotic equivalences and faster training Julius Berner Lorenz Richter Marcin Sendera Jarrid Rector-Brooks Nikolay Malkin OffRL 60 3 0 10 Jan 2025
MetaGFN: Exploring Distant Modes with Adapted Metadynamics for Continuous GFlowNets Dominic Phillips F. Cipcigan 40 3 0 28 Aug 2024
RetroGFN: Diverse and Feasible Retrosynthesis using GFlowNets Piotr Gaiñski Michał Koziarski Krzysztof Maziarz Marwin H. S. Segler Jacek Tabor Marek Śmieja 46 3 0 26 Jun 2024
Trajectory balance: Improved credit assignment in GFlowNets Nikolay Malkin Moksh Jain Emmanuel Bengio Chen Sun Yoshua Bengio 145 166 0 31 Jan 2022