Showing 21 - 40 results of 4,908 for search '(((( algorithm whose functional ) OR ( algorithm b function ))) OR ( algorithm python function ))', query time: 0.64s Refine Results
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    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

    Published 2025
    “…This algorithm conducts a series of procedures: (1) fragmentation of the molecules into functional groups from SMILES, (2) calculation of activity coefficients under predetermined temperature and mole fraction conditions by employing universal quasi-chemical functional group activity coefficient (UNIFAC) model, and (3) regression of NRTL model parameters by employing UNIFAC model simulation results in the differential evolution algorithm (DEA) and Nelder–Mead method (NMM). …”
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    (a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions). by Yu Liu (6938)

    Published 2025
    “…<p>(a) Radar chart of these algorithms (23 Benchmark functions), (b) The sorting diagram of these algorithms (23 Benchmark functions).…”
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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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    ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

    Published 2020
    “…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …”
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    Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

    Published 2021
    “…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”
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    Core genes were selected through PPI analysis based on three algorithms. by Dong-Hee Han (140305)

    Published 2024
    “…<p>Among 46 DEGs whose expression significantly changed in A549 and BEAS-2B cell lines, the core genes were selected using three algorithms: MCC, MNC, and DEGREE. …”
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    BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data by Jean-Christophe Lachance (6619307)

    Published 2019
    “…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …”