يعرض 1 - 20 نتائج من 1,594 نتيجة بحث عن '(( algorithm protein function ) OR ( ((algorithm python) OR (algorithm both)) function ))*', وقت الاستعلام: 0.46s 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
    "…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …"
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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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    Reward function related parameters. حسب Honglei Pang (22693724)

    منشور في 2025
    الموضوعات:
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    Quantum Computing and peptide folding حسب Akshay Uttarkar (19699990)

    منشور في 2024
    "…<p dir="ltr">The work "Peptide Folding with Quantum CVaR-VQE Algorithm" represents a significant advancement in the field of computational biology, particularly in the challenging domain of protein folding. …"
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