يعرض 1 - 20 نتائج من 12,389 نتيجة بحث عن '(( ((algorithm python) OR (algorithm etc)) function ) OR ( algorithm 1 function ))*', وقت الاستعلام: 0.32s تنقيح النتائج
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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

    منشور في 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 حسب Se-Hee Jo (20554623)

    منشور في 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 حسب Morgan Najera (21540776)

    منشور في 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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    Compare algorithm parameter settings. حسب Yuqi Xiong (12343771)

    منشور في 2025
    الموضوعات:
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    An expectation-maximization algorithm for finding noninvadable stationary states. حسب Robert Marsland (8616483)

    منشور في 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 حسب Pascal Wang (10130612)

    منشور في 2021
    "…In `main.py`, the parameters for the TAMS algorithm are specified (trajectory time, time step, score function, number of particles, type of score threshold, maximum number of iterations, noise level etc.). …"
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    Multi-functional liquid crystal devices based on random binary matrix algorithm حسب Tibin Zeng (10890697)

    منشور في 2023
    "…<p>Multi-functional diffraction gratings have found broad applications in laser processing, medicine, beam manipulation, etc. …"
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    Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. حسب Francisco Páscoa dos Santos (16510676)

    منشور في 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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    ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space حسب Koushik Naskar (7510592)

    منشور في 2020
    "…For the numerical case, user can directly provide <i>ab initio</i> data (adiabatic PESs and NACTs) as input files to this software or can generate those input files through in-built python codes interfacing MOLPRO followed by ADT calculation. …"