Latent Space Simulator for Unveiling Molecular Free Energy Landscapes and Predicting Transition Dynamics

S Dobers, H Stark, X Fu, D Beaini… - NeurIPS 2023 AI for … - openreview.net
Free Energy Surfaces (FES) and metastable transition rates are key elements in
understanding the behavior of molecules within a system. However, the typical approaches …

Latent Space Simulator for Unveiling Molecular Free Energy Landscapes and Predicting Transition Dynamics

S Dobers, H Stark, X Fu, D Beaini, S Günnemann - openreview.net
Free Energy Surfaces (FES) and metastable transition rates are key elements in
understanding the behavior of molecules within a system. However, the typical approaches …