Showing 1 - 20 results of 3,022 for search '(( algorithm python function ) OR ((( algorithm basis functions ) OR ( algorithm 8217 function ))))', query time: 0.58s Refine Results
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    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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    DMTD algorithm. by Yunhu Huang (21402795)

    Published 2025
    Subjects:
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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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    Comparison of scores obtained by our interpenetration and scoring algorithm (ISA) and ROSETTA for a subset of structures. by Kevin Sawade (16726527)

    Published 2023
    “…However, our algorithm was 1000 times faster than pyROSETTA (both algorithms have been parallelized on a per-structure basis using the Python package joblib [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1010531#pcbi.1010531.ref069" target="_blank">69</a>]).…”
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    Cost function calculated by QA with different hyperparameters. by Takuro Matsuta (21608505)

    Published 2025
    Subjects: “…currently available algorithms…”
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    Cost function calculated by SA with different hyperparameters. by Takuro Matsuta (21608505)

    Published 2025
    Subjects: “…currently available algorithms…”
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