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  • funnel Public

    funnel metadynamics

    Updated Dec 9, 2023

  • NIS-MD Public template

    MD simulations of the Na+/I- symporter (NIS) with sodium and iodide bound to it.

    Jupyter Notebook Creative Commons Zero v1.0 Universal Updated Sep 17, 2022

  • vde_metadynamics Public

    Forked from msultan/vde_metadynamics

    Enhanced protein mutational sampling using time-lagged variational autoencoders

    Python MIT License Updated Sep 17, 2018