EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

"…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …"

Comparison of different algorithms. حسب Dawei Wang (471687)

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Multi-algorithm comparison figure. حسب Dawei Wang (471687)

الموضوعات:

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب Se-Hee Jo (20554623)

"…A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …"

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer حسب Morgan Najera (21540776)

"…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.…"

FAR-1: A Fast Integer Reduction Algorithm Compared to Collatz and Half-Collatz حسب Faizan Ali (21689861)

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Python-based Monte Carlo Simulation Tool حسب Yangfan Jiang (9372782)

Feature selection algorithm. حسب Mahmoud Zeydabadinezhad (12289570)

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A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data حسب Anthony S. Barente (14035175)

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Experimental setup parameters. حسب Yunpeng Bai (1714087)

"…Firstly, the method employs the envelope entropy as the adaptability function, optimizes the [k, ɑ] combination value of the VMD decomposition using the bacterial foraging-particle swarm algorithm (BFO-PSO), and utilizes the interrelation number R as the classification index with the Least Mean Square Algorithm (LMS) to classify, filter, and extract the effective signal from the decomposed signal. …"

An expectation-maximization algorithm for finding noninvadable stationary states. حسب Robert Marsland (8616483)

"…<i>(b)</i> Metabolic byproducts move the relevant unperturbed state from <b>R</b>⁰ (gray ‘x’) to (black ‘x’), which is itself a function of the current environmental conditions. …"

Verification of the in-line PS function. حسب Raul Castañeda (13932971)

A comparison of whether to add a penalty. حسب Dawei Wang (471687)

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Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements حسب Pascal Wang (10130612)

"…<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. …"

The recurrent T3D algorithm. حسب Neythen J. Treloar (8698251)

Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... حسب Giacomo Janson (8138517)

Example of landmark registration to align ‘peaks’ of high density in the probability density function (PDF) of CD4 expression on blood T cells for a target distribution and chosen... حسب Ross J. Burton (10941910)

Example of the CNF function for off-axis DHM holograms recorded in a non-telecentric configuration. حسب Raul Castañeda (13932971)

Reward function related parameters. حسب Honglei Pang (22693724)

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Environmental setup. حسب Parthiban Aravamudhan (15338781)

"…Even though many traditional methods and Machine Learning algorithms are designed hot, still it “Have a Screw Loose” in detecting the cyber-attacks. …"