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. …”

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. …”

<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.…”

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

Subjects:

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

Experiment 1b: Evaluating modularity-based consensus clustering pipelines on the algorithm design datasets as a function of the mixing parameter. by Yasamin Tabatabaee (18095491)

DE algorithm flow. by Ling Zhao (111365)

“…<div><p>To solve the problems of insufficient global optimization ability and easy loss of population diversity in building interior layout design, this study proposes a novel layout optimization model integrating interactive genetic algorithm and improved differential evolutionary algorithm to improve the global optimization ability and maintain population diversity in building layout design. …”

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

Subjects:

Improved A* algorithm flowchart. by Peiying Li (797714)

“…Specifically, A-star is optimized by evaluation function, sub node selection mode and path smoothness, and fuzzy control is introduced to optimize the sliding window algorithm. …”

Test results of different algorithms. by Ling Zhao (111365)

“…<div><p>To solve the problems of insufficient global optimization ability and easy loss of population diversity in building interior layout design, this study proposes a novel layout optimization model integrating interactive genetic algorithm and improved differential evolutionary algorithm to improve the global optimization ability and maintain population diversity in building layout design. …”

PyNoetic’s classification module supports a range of popular and widely used ML classification models with just a single line of function call. by Gursimran Singh (575288)

Subjects:

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. …”

A comparison between the static Python-based visualizations of the p65 activity in activated fibroblasts and the dynamic, HTML-based visualizations that use these same reduction me... by Hector Torres (11708207)

Subjects:

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

Development and Evaluation of GlycanDock: A Protein–Glycoligand Docking Refinement Algorithm in Rosetta by Morgan L. Nance (10981871)

“…These highly diverse chains are recognized by a variety of protein receptors, enabling glycans to regulate many biological functions. …”

Development and Evaluation of GlycanDock: A Protein–Glycoligand Docking Refinement Algorithm in Rosetta by Morgan L. Nance (10981871)

“…These highly diverse chains are recognized by a variety of protein receptors, enabling glycans to regulate many biological functions. …”

Development and Evaluation of GlycanDock: A Protein–Glycoligand Docking Refinement Algorithm in Rosetta by Morgan L. Nance (10981871)

“…These highly diverse chains are recognized by a variety of protein receptors, enabling glycans to regulate many biological functions. …”

Development and Evaluation of GlycanDock: A Protein–Glycoligand Docking Refinement Algorithm in Rosetta by Morgan L. Nance (10981871)

“…These highly diverse chains are recognized by a variety of protein receptors, enabling glycans to regulate many biological functions. …”

Development and Evaluation of GlycanDock: A Protein–Glycoligand Docking Refinement Algorithm in Rosetta by Morgan L. Nance (10981871)

“…These highly diverse chains are recognized by a variety of protein receptors, enabling glycans to regulate many biological functions. …”

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. …”