يعرض 1 - 20 نتائج من 12,550 نتيجة بحث عن '(((( algorithm where functional ) OR ( algorithm i function ))) OR ( algorithm python function ))', وقت الاستعلام: 0.74s تنقيح النتائج
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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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    An expectation-maximization algorithm for finding noninvadable stationary states. حسب Robert Marsland (8616483)

    منشور في 2020
    "…<p><i>(a)</i> Noninvadable states by definition can only exist in the region Ω of resource space where the growth rate <i>dN</i><sub><i>i</i></sub>/<i>dt</i> of each species <i>i</i> is zero or negative. …"
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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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    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
    "…In order to establish the workability of our program package, we selectively choose six realistic molecular species, namely, NO<sub>2</sub> radical, H<sub>3</sub><sup>+</sup>, F + H<sub>2</sub>, NO<sub>3</sub> radical, C<sub>6</sub>H<sub>6</sub><sup>+</sup> radical cation, and 1,3,5-C<sub>6</sub>H<sub>3</sub>F<sub>3</sub><sup>+</sup> radical cation, where two, three, five and six electronic states exhibit profound nonadiabatic interactions and are employed to compute diabatic PESs by using <i>ab initio</i> calculated adiabatic PESs and NACTs. …"
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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
    "…<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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