بدائل البحث:
algorithm python » algorithm within (توسيع البحث), algorithms within (توسيع البحث), algorithm both (توسيع البحث)
python function » protein function (توسيع البحث)
algorithm i » algorithm b (توسيع البحث), algorithm a (توسيع البحث), algorithms _ (توسيع البحث)
i function » a function (توسيع البحث), 1 function (توسيع البحث), link function (توسيع البحث)
algorithm python » algorithm within (توسيع البحث), algorithms within (توسيع البحث), algorithm both (توسيع البحث)
python function » protein function (توسيع البحث)
algorithm i » algorithm b (توسيع البحث), algorithm a (توسيع البحث), algorithms _ (توسيع البحث)
i function » a function (توسيع البحث), 1 function (توسيع البحث), link function (توسيع البحث)
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
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
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
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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Results of the application of different clustering algorithms to average functional connectivity from healthy subjects.
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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S1 File -
منشور في 2024"…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …"
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S1 Dataset -
منشور في 2024"…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …"
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ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space
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. …"
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