Showing 1 - 20 results of 1,470 for search '(( python ((code presented) OR (model predicted)) ) OR ( python code implementation ))', query time: 0.57s Refine Results
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    Python implementation of the geometric minimum action method (gMAM) by Pascal Wang (10130612)

    Published 2021
    “…<p>The Python 3 script <code>gmam_demo.py</code> found in this repository implements the geometric minimum action method (gMAM) as presented in Heymann, M. and Vanden-Eijnden, E. (2008), "The geometric minimum action method: A least action principleon the space of curves." …”
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    WEDAP: A Python Package for Streamlined Plotting of Molecular Simulation Data by Darian T. Yang (12321348)

    Published 2024
    “…Given the growing interest in path sampling methods for extending the time scales of molecular dynamics (MD) simulations, there has been great interest in software tools that streamline the generation of plots for monitoring the progress of large-scale simulations. Here, we present the WEDAP Python package for simplifying the analysis of data generated from either conventional MD simulations or the weighted ensemble (WE) path sampling method, as implemented in the widely used WESTPA software package. …”
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    Python source code of the framework. by Tomasz Gutowski (17200042)

    Published 2023
    “…<p>This supplementary file contains the complete Python source code for training the machine learning models to predict patient medication responses and for generating optimized medication schedules.…”
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