يعرض 21 - 40 نتائج من 7,319 نتيجة بحث عن '(( algorithm potential functional ) OR ( ((algorithm python) OR (algorithm both)) function ))', وقت الاستعلام: 0.37s تنقيح النتائج
  1. 21

    Bioinformatic Analysis Reveals both Oversampled and Underexplored Biosynthetic Diversity in Nonribosomal Peptides حسب Bo-Siyuan Jian (14669996)

    منشور في 2023
    "…Structural prediction algorithms for nonribosomal peptides (NRPs), the largest family of microbial natural products, lie at the heart of this new approach. …"
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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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    Pair Potentials as Machine Learning Features حسب Jun Pei (1765720)

    منشور في 2020
    الموضوعات:
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    Pair Potentials as Machine Learning Features حسب Jun Pei (1765720)

    منشور في 2020
    الموضوعات:
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    Pair Potentials as Machine Learning Features حسب Jun Pei (1765720)

    منشور في 2020
    الموضوعات:
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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
    "…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …"
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    Comparison of algorithms in two cases. حسب Yi Tao (178829)

    منشور في 2022
    الموضوعات: "…evolutionary genetic algorithm…"
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    Flow of the NSGA-II algorithm. حسب Yi Tao (178829)

    منشور في 2022
    الموضوعات: "…evolutionary genetic algorithm…"
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