Showing 1 - 20 results of 4,946 for search '(((( algorithm based reactions ) OR ( algorithm its function ))) OR ( algorithm python function ))', query time: 0.66s Refine Results
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    Explained variance ration of the PCA algorithm. by Abeer Aljohani (18497914)

    Published 2025
    “…<div><p>Chest X-ray image classification plays an important role in medical diagnostics. Machine learning algorithms enhanced the performance of these classification algorithms by introducing advance techniques. …”
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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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    <b>Opti2Phase</b>: Python scripts for two-stage focal reducer by Morgan Najera (21540776)

    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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    Practical rules for summing the series of the Tweedie probability density function with high-precision arithmetic by NELSON L. DIAS (8078003)

    Published 2019
    “…With these practical rules, simple summation algorithms provide sufficiently robust results for the calculation of the density function and its definite integrals. …”
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    Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications by P. Bernát Szabó (10526316)

    Published 2023
    “…The extension of the highly optimized local natural orbital (LNO) coupled cluster (CC) with single-, double-, and perturbative triple excitations [LNO-CCSD­(T)] method is presented for high-spin open-shell molecules based on restricted open-shell references. The techniques enabling the outstanding efficiency of the closed-shell LNO-CCSD­(T) variant are adopted, including the iteration- and redundancy-free second-order Møller–Plesset and (T) formulations as well as the integral-direct, memory- and disk use-economic, and OpenMP-parallel algorithms. …”
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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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    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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    Identifying the groups becomes harder when the degradation chain is long, especially for groups catalyzing upstream reactions. by Yuanchen Zhao (12905580)

    Published 2024
    “…The recovery quality of a group is defined as the Jaccard Similarity between the true functional group and its closest match in the algorithm output. …”