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Accelerating Molecular Dynamics through Informed Resetting

Jonathan R. Church, Ofir Blumer, Tommer D. Keidar, Leo Ploutno, Shlomi Reuveni, and Barak Hirshberg

arXiv DOI

Here we provide input files for simulations and source data for the figures of the manuscript above. We also give a short example of the inference method presented in the manuscript for the mean first-passage time.