ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …”

Fitting mean gene expression to Hill function for gained SE and TE associated genes. by Johannes N. Wibisana (12709828)

Trajectory planning results of different planning algorithms under fixed driving mileage. by Du Chigan (22320279)

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

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Reconstructed 2D (a) and 3D (b) phase image of an RBC sample using a non-telecentric DHM system. by Brian Bogue-Jimenez (16954568)

Subjects: “…developed computational algorithm…”

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. …”

Speech signal waveforms (a) before and (b) after hiding the encrypted text message. by Mustafa A. Al Sibahee (17729627)

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Connectivity characteristics (distance, orientation, and region) of the stable low-|Δθ|, stable high-|Δθ|, and shifting-|Δθ| networks. by Melisa Menceloglu (7610213)

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Representative connections in the stable low-|Δθ| (left columns), stable high-|Δθ| (middle columns), and shifting-|Δθ| (right, highlighted columns) networks, for representative fre... by Melisa Menceloglu (7610213)

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Distributions of |Δθ| for the stable low-|Δθ| (left columns), stable high-|Δθ| (middle columns), and shifting-|Δθ| (right columns) networks for different <i>q</i> ranges in 5-perce... by Melisa Menceloglu (7610213)

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Inter-site temporal power correlations (top row), average powers (middle row), and inter-site-pair correlations between inter-site power correlation and average power (bottom row)... by Melisa Menceloglu (7610213)

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Spatial distributions of connectivity degree for the stable low-|Δθ| (left columns) and stable high-|Δθ| (middle columns) networks, and for the shifting-|Δθ| network that shifted i... by Melisa Menceloglu (7610213)

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Comparison results on benchmark functions with traditional algorithms. by Xiaoyi Zhang (577299)

Results of the PSO-Kmeans-ANMS algorithm for the Rastrigin function. by Rutinaldo Aguiar Nascimento (14259594)

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Results of the PSO-Kmeans-ANMS algorithm for the Rosenbrock function. by Rutinaldo Aguiar Nascimento (14259594)

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Design and implementation of DelaySSA. The input data for DelaySSA are reaction information, initial states, parameters and delays. Combining these into the simulation function, th... by Ziyan Jin (21021976)

Loss function values of target detection algorithms during training. by Guodong Su (7876934)

BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data by Jean-Christophe Lachance (6619307)

“…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …”

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. …”

Pseudo algorithm of the GA algorithm used in this study. by Tuan Anh Pham (1346049)

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