MarS-FM: Generative Modeling of Molecular Dynamics via Markov State Models

ArXi:2509.24779v3 Announce Type: replace Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically signal to be dominated by frequent but uninformative transitions. We