Multiscale Reweighted Stochastic Embedding (MRSE): Deep Learning of Collective Variables for Enhanced Sampling

MRSE Dataset (version 1.0.0) Used in the following publications: J. Rydzewski, and O. ValssonMultiscale Reweighted Stochastic Embedding: Deep Learning of Collective Variables for Enhanced SamplingJ. Phys. Chem. A 125, 6286 (2021)doi:10.1021/acs.jpca.1c02869 / arXiv:2007.06377 / Zenodo:4756093 / plumID:21.023 J. Rydzewski, M. Chen, T. K. Ghosh, O. ValssonReweighted Manifold Learning of Collective Variables from Enhanced Sampling SimulationsJ. Chem. Theory Comput. 18, 7179 (2022)doi:10.1021/acs.jctc.2c00873 / arXiv:2207.14554 / plumID:21.023 J. RydzewskiSelecting High-Dimensional Representations of Physical Systems by Reweighted Diffusion MapsJ. Phys. Chem. Lett. 14, 2778 (2023)doi:10.1021/acs.jpclett.3c00265 / arXiv:2404.02639 J. Rydzewski, M. Chen, O. ValssonManifold Learning in Atomistic Simulations: A Conceptual ReviewMach. Learn.: Sci. Technol. 4, 031001 (2023)doi:10.1088/2632-2153/ace81a / arXiv:2303.08486