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)

“…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). …”

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

“…</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.…”

<b>Algorithm Pseudocode</b> by Yibin Zhao (22425801)

PyNoetic’s stimuli generation and recording module, which supports both ERP and SSVEP. by Gursimran Singh (575288)

Subjects:

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

Subjects:

Reactive Molecular Simulation and Microscopic Origins in the Reaction Kinetics of Binary Polymerization by Xinwei Chen (255125)

Subjects:

Reward function related parameters. by Honglei Pang (22693724)

Subjects:

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

Summary of the contrasts obtained from the normalized images for both inclusions as a function of the host type and the wavelength. by María Victoria Waks-Serra (21578611)

Subject characteristics. by Dominique Vincent-Genod (20552594)

“…<div><p>Among the 32 items of the Motor Function Measure scale, 3 concern the assessment of hand function on a paper-based support. …”

Research data. by Dominique Vincent-Genod (20552594)

“…<div><p>Among the 32 items of the Motor Function Measure scale, 3 concern the assessment of hand function on a paper-based support. …”

The image of the Aekley function. by Zhengyu Xu (8550660)

Evolution of the rescaled hydraulic diameter () and complexity () in both simulations and seal tomograms as a function of simulation timestep and relative age (). by Jonathan E Kings (20818367)

The ALO algorithm optimization flowchart. by Wenjing Wang (181404)

“…The average running time of the proposed algorithm in Sphere function and Griebank function was 2.67s and 1.64s, respectively. …”

The IALO algorithm solution flowchart. by Wenjing Wang (181404)

“…The average running time of the proposed algorithm in Sphere function and Griebank function was 2.67s and 1.64s, respectively. …”

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)

The impact of extrinsic noise sources on the measured SNR is plotted for both CW and TG against varying optical filter magnitudes. by Nicholas H. Vitale (20469289)

Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

“…Kohn–Sham density functional theory (KS-DFT) has become a cornerstone for studying the electronic structure of molecules and materials. …”

A detailed process of iterative simulation coupled with bone density algorithm; (a) a function of stimulus and related bone density changes, and (b) iterative calculations of finit... by Hassan Mehboob (8960273)