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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
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algorithm its » algorithm etc (Expand Search), algorithm iqa (Expand Search), algorithm steps (Expand Search)
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…For a RDKit molecule, it provides (i) a PNG binary string with an image of the molecule with color-highlighted functional groups; (ii) a list of sets of atom indices (idx), each set corresponding to a functional group; (iii) a list of pseudo-SMILES canonicalized strings for the full functional groups; and (iv) a list of RDKit labeled mol objects, one for each full functional group. …”
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Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results
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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<b>Opti2Phase</b>: Python scripts for two-stage focal reducer
Published 2025“…</li></ul><p dir="ltr">The scripts rely on the following Python packages. Where available, repository links are provided:</p><ol><li><b>NumPy</b>, version 1.22.1</li><li><b>SciPy</b>, version 1.7.3</li><li><b>PyGAD</b>, version 3.0.1 — https://pygad.readthedocs.io/en/latest/#</li><li><b>bees-algorithm</b>, version 1.0.2 — https://pypi.org/project/bees-algorithm</li><li><b>KrakenOS</b>, version 1.0.0.19 — https://github.com/Garchupiter/Kraken-Optical-Simulator</li><li><b>matplotlib</b>, version 3.5.2</li></ol><p dir="ltr">All scripts are modular and organized to reflect the design stages described in the manuscript.…”
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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
Published 2025Subjects: -
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An expectation-maximization algorithm for finding noninvadable stationary states.
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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Modular architecture design of PyNoetic showing all its constituent functions.
Published 2025Subjects: -
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Contrast enhancement of digital images using dragonfly algorithm
Published 2024“…The experimental observations reveal that the proposed DA-based image contrast enhancement produces high-quality images from its low-contrast counterparts. Comparisons with state-of-art methods ensure the superiority of the proposed algorithm. …”
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Hyperparameter settings of the algorithm 1.
Published 2024“…Therefore, this paper presents a novel adaptive control structure for the Twin Delayed Deep Deterministic Policy Gradient algorithm, which is based on a reference trajectory model (TD3-RTM). …”
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Results of the application of different clustering algorithms to average functional connectivity from healthy subjects.
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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Mean convergence graphs of the evolution in the performance function and its terms through generations in thirty executions of each algorithm.
Published 2025“…<p>Mean convergence graphs of the evolution in the performance function and its terms through generations in thirty executions of each algorithm.…”
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The ALO algorithm optimization flowchart.
Published 2024“…The average running time of the proposed algorithm in Sphere function and Griebank function was 2.67s and 1.64s, respectively. …”
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The IALO algorithm solution flowchart.
Published 2024“…The average running time of the proposed algorithm in Sphere function and Griebank function was 2.67s and 1.64s, respectively. …”