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algorithms python » algorithms within (Expand Search), algorithm within (Expand Search)
algorithms often » algorithms sorted (Expand Search), algorithms adopted (Expand Search), algorithms within (Expand Search)
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
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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If datasets are small and/or noisy, linear-regression-based algorithms for identifying functional groups outperform more complex versions.
Published 2024“…Each algorithm return a set of coarsened <i>variables</i> (a grouping of species into three groups) and a <i>model</i> that uses these variables to predict the function. …”
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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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PyNoetic’s stimuli generation and recording module, which supports both ERP and SSVEP.
Published 2025Subjects: -
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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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Explained variance ration of the PCA algorithm.
Published 2025“…These classification algorithms often requires conversion of a medical data to another space in which the original data is reduced to important values or moments. …”
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10-fold cross-validation evaluation of accuracy of animal tracking algorithms.
Published 2025“…<p>We labeled 1,000 frames per cohort under both day and night conditions (total 6,000 human labeled frames across three cohorts), and studied the accuracy of the animal tracking algorithm (SLEAP) as a function of the number of frames (<i>x</i>-axis) trained. …”
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FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz
Published 2025Subjects: -
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