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

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

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer by 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.…”

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by 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. …”

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

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

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

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

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Diagram of the algorithm used during the training phase. by Ana P. Arantes (17131753)

An expectation-maximization algorithm for finding noninvadable stationary states. by 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. …”

The algorithm for achieving the research objectives illustrating the process of developing a mathematical model of the braking moment as a function of tire deformation. by Bartosz Wieczorek (8098352)

“…<p>The algorithm for achieving the research objectives illustrating the process of developing a mathematical model of the braking moment as a function of tire deformation.…”

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

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by 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. …”

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... by Giacomo Janson (8138517)

Algorithm framework in revitalizing HBs. by Kailun Fang (13949729)

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... by Ross J. Burton (10941910)

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. by Francisco Páscoa dos Santos (16510676)

“…<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. …”

Reward function related parameters. by Honglei Pang (22693724)

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FaaSr: Serverless Workflows in R by Renato Figueiredo (3684430)

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Listed python codes of our algorithm with explanations (Python 3.9 recommended). by Takayuki Niizato (162226)

Bayesian Optimization Via Barrier Functions by Tony Pourmohamad (6265826)

“…Our hybrid algorithm is guided by a novel acquisition function that tries to decrease the objective function as much as possible while simultaneously trying to ensure that the boundary of the constraint space is never crossed. …”