Showing 1 - 20 results of 3,990 for search '(((( algorithm used function ) OR ( algorithm phase function ))) OR ( algorithm python function ))', query time: 0.53s Refine Results
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    <b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

    Published 2025
    “…<p dir="ltr"><b>Opti2Phase: Python Scripts for Two-Stage Focal Reducer Design</b></p><p dir="ltr">The folder <b>Opti2Phase</b> contains the Python scripts used to generate the results presented in the manuscript. …”
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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
    “…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …”
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    Algorithm Parameter Setting. by Tong Zhou (3770)

    Published 2025
    “…This strategy uses the improved D3QN algorithm combined with the excellent smoothness of the sine function to evaluate driving safety, helping vehicles find suitable gaps in traffic flow. …”
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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): These systems were simulated for (0,3] and (0,3] without the prior knowledge about different phases, and the probability density function of points in feature space illustrate... by Ali Talebi (7164203)

    Published 2025
    “…(b): The dense areas are separated by removing the data less than threshold = 0.5 in the probability density function. (c): The centroid of each cluster is determined by the K-means algorithm.…”
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