Showing 1 - 20 results of 15,685 for search '(( algorithm python function ) OR ((( algorithm a function ) OR ( algorithm pre function ))))', query time: 0.76s 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
    “…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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    Comparison of deconvolution and optimization algorithms on a batch of data. by Ali-Kemal Aydin (10968731)

    Published 2021
    “…Both experimental data have been resampled at 50ms and used to compute a set of TFs (in orange) either with direct deconvolution approaches (Fourier or Toeplitz methods, middle-upper panel TFs) or with 1-Γ function optimization performed by 3 different algorithms (middle-lower panel TFs). …”
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    Prediction performance of different optimization algorithms. by Ali-Kemal Aydin (10968731)

    Published 2021
    “…<p>(A) 3 algorithms were compared in terms of the residuals of the cost function of the optimized TF on 7 mice datasets (Derivative free algorithm failed in optimizing a TF in a mouse). …”
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    Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

    Published 2025
    “…A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …”
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    <b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

    Published 2025
    “…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.…”
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    An expectation-maximization algorithm for finding noninvadable stationary states. by Robert Marsland (8616483)

    Published 2020
    “…<i>(b)</i> Metabolic byproducts move the relevant unperturbed state from <b>R</b><sup>0</sup> (gray ‘x’) to (black ‘x’), which is itself a function of the current environmental conditions. …”
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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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    Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. by Francisco Páscoa dos Santos (16510676)

    Published 2023
    “…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …”
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