يعرض 41 - 60 نتائج من 297 نتيجة بحث عن '(( python code implementation ) OR ( ((python model) OR (python tool)) implementing ))', وقت الاستعلام: 0.26s تنقيح النتائج
  1. 41

    BaNDyT: Bayesian Network Modeling of Molecular Dynamics Trajectories حسب Elizaveta Mukhaleva (20602550)

    منشور في 2025
    "…We believe that BaNDyT is the first software package to include specialized and advanced features for analyzing MD simulation trajectories using a probabilistic graphical network model. We describe here the software’s uses, the methods associated with it, and a comprehensive Python interface to the underlying generalist BNM code. …"
  2. 42

    BaNDyT: Bayesian Network Modeling of Molecular Dynamics Trajectories حسب Elizaveta Mukhaleva (20602550)

    منشور في 2025
    "…We believe that BaNDyT is the first software package to include specialized and advanced features for analyzing MD simulation trajectories using a probabilistic graphical network model. We describe here the software’s uses, the methods associated with it, and a comprehensive Python interface to the underlying generalist BNM code. …"
  3. 43

    BaNDyT: Bayesian Network Modeling of Molecular Dynamics Trajectories حسب Elizaveta Mukhaleva (20602550)

    منشور في 2025
    "…We believe that BaNDyT is the first software package to include specialized and advanced features for analyzing MD simulation trajectories using a probabilistic graphical network model. We describe here the software’s uses, the methods associated with it, and a comprehensive Python interface to the underlying generalist BNM code. …"
  4. 44

    Cost functions implemented in Neuroptimus. حسب Máté Mohácsi (20469514)

    منشور في 2024
    "…In recent years, manual model tuning has been gradually replaced by automated parameter search using a variety of different tools and methods. …"
  5. 45

    PTPC-UHT bounce حسب David Parry (22169299)

    منشور في 2025
    "…<br>It contains the full Python implementation of the PTPC bounce model (<code>PTPC_UHT_bounce.py</code>) and representative outputs used to generate the figures in the paper. …"
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    2D Orthogonal Planes Split: <b>Python</b> and <b>MATLAB</b> code | <b>Source Images</b> for Figures حسب Nektarios Valous (20715650)

    منشور في 2025
    "…The output files generated by the code include results from both Python and MATLAB implementations; these output images are provided as validation, demonstrating that both implementations produce matching results.…"
  13. 53

    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

    منشور في 2025
    "…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …"
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    Efficient, Hierarchical, and Object-Oriented Electronic Structure Interfaces for Direct Nonadiabatic Dynamics Simulations حسب Sascha Mausenberger (22225772)

    منشور في 2025
    "…We present a novel, flexible framework for electronic structure interfaces designed for nonadiabatic dynamics simulations, implemented in Python 3 using concepts of object-oriented programming. …"