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  1. MD_Fragment_Analyzer MD_Fragment_Analyzer Public

    MD Fragment Analyzer is a fast and practicle tool to extract molecular fragments, counts, and more frame by frame with optimized alogrithm. It allows using CPUs or GPU to accelerate the analysis.

    Python 2

  2. slip-noslip-estimator slip-noslip-estimator Public

    A Python-based GUI tool designed to help users determine the appropriate boundary condition (slip or no-slip) for CFD simulations based on molecular-scale friction parameters.

    Python 1