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

“…In medicinal chemistry, they are the basis for analyzing ligand–biomacromolecule interactions. Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …”

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.…”

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

Subjects:

Explained variance ration of the PCA algorithm. by Abeer Aljohani (18497914)

Subjects:

Summary: Dipole-spread-function engineering for simultaneously measuring the 3D orientations and 3D positions of fluorescent molecules by Tingting Wu (21440889)

“…However, spatial and angular information are mixed within the image of a fluorescent molecule–the microscope’s dipole-spread function (DSF). We demonstrate the pixOL algorithm to simultaneously optimize all pixels within a phase mask to produce an engineered Green’s tensor–the dipole extension of point-spread function engineering. …”

Effect of the transmission probability function on epidemic spread. by Soler Gabriela Bayolo (21011810)

Distribution of objective function values solved by three algorithms. by Meilin Zhu (688698)

Average function evaluation times of the three optimization algorithms. by Shuhui Yu (1535500)

“…<p>Average function evaluation times of the three optimization algorithms.…”

SP results of algorithms in the CEC 2009 test functions. by Vahid Goodarzimehr (21343124)

MS results of algorithms in the CEC 2009 test functions. by Vahid Goodarzimehr (21343124)

Comparison of assembly results of three algorithms. by Guohua Cao (697580)

Comparison of performance metrics of three algorithms. by Junjie He (700642)

Subjects: “…coverage attenuation function…”

Comparison of site selection results of three algorithms. by Junjie He (700642)

Subjects: “…coverage attenuation function…”

Comparison of algorithm performance in ZDT3 and ZDT4 function tests. by Tao Dong (15551)

“…<p>Comparison of algorithm performance in ZDT3 and ZDT4 function tests.…”

M2 spread and upper ECD spread for the reruns. by Samuel Eriksson Lidbrink (21616146)

Pseudo-code of DMDDPG algorithm. by Guohua Cao (697580)

“…The simulation results indicate that the proposed algorithm, which models the first three joints and the last three joints of the robotic arm as multi-agents, demonstrates not only enhanced adaptability but also faster and more stable convergence.…”

Illustration of PyNoetic’s 2D and 3D simulation module with visual feedback. by Gursimran Singh (575288)

Subjects:

Reward function related parameters. by Honglei Pang (22693724)

Subjects:

Pipeline of the interactor algorithm. by Jose Cleydson F. Silva (8685594)