Showing 1 - 20 results of 19,396 for search '(( algorithm basis function ) OR ((( algorithm python function ) OR ( algorithm _ function ))))', query time: 0.59s Refine Results
  1. 1

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

    Published 2025
    “…Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …”
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    Performance profiles of these algorithms on the basis of the number of function evaluations. by Xianfeng Ding (535904)

    Published 2021
    “…<p>Performance profiles of these algorithms on the basis of the number of function evaluations.…”
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    The schematic view of the Radial Basis Function (RBF) algorithm. by Mohsen Yoosefzadeh-Najafabadi (6917399)

    Published 2021
    “…<p>The schematic view of the Radial Basis Function (RBF) algorithm.</p>…”
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    Convergence curves of various algorithms under test functions. by Jiayuan Wang (3765376)

    Published 2025
    “…<p>Convergence curves of various algorithms under test functions.</p>…”
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    Convergence curves of various algorithms under test functions. by Jiayuan Wang (3765376)

    Published 2025
    “…<p>Convergence curves of various algorithms under test functions.</p>…”
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    Comparison of algorithms in two cases. by Yi Tao (178829)

    Published 2022
    Subjects: “…evolutionary genetic algorithm…”
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    Flow of the NSGA-II algorithm. by Yi Tao (178829)

    Published 2022
    Subjects: “…evolutionary genetic algorithm…”
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    The convergence curve of each optimization algorithm under the test function. by Hao Yang (328526)

    Published 2025
    “…<p>The convergence curve of each optimization algorithm under the test function.</p>…”
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    Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

    Published 2025
    “…In this work, we present a comparative study of four GPU-accelerated algorithms for evaluating the KS-DFT exchange–correlation (XC) potential with an atom-centered Gaussian basis. …”
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    Python-based Monte Carlo Simulation Tool by Yangfan Jiang (9372782)

    Published 2024
    Subjects: “…Monte Carlo simulation, Radiation transfer, Multiple scattering algorithm, Temporal correlation function…”
  17. 17

    The optimal solution set of NYN by using different algorithms. by Yi Tao (178829)

    Published 2022
    Subjects: “…evolutionary genetic algorithm…”
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    The optimal solution set of HN by using different algorithms. by Yi Tao (178829)

    Published 2022
    Subjects: “…evolutionary genetic algorithm…”
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