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 implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements by Pascal Wang (10130612)

“…In `main.py`, the parameters for the TAMS algorithm are specified (trajectory time, time step, score function, number of particles, type of score threshold, maximum number of iterations, noise level etc.). …”

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

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

Confusion matrix of tree algorithm analysis. by Thiago Orion Simões Amorim (6808244)

Subjects:

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.…”

Data_Sheet_1_Decoding emotional resilience in aging: unveiling the interplay between daily functioning and emotional health.PDF by Minhua Guo (18392646)

Results obtained by different algorithms on 23 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

An Algorithmic Approach Based on Data Trees and Genetic Algorithms to Understanding Charged and Neutral Metal Nanocluster Growth by Chelsea M. Mueller (8351745)

Subjects:

Comparison of algorithms in two cases. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Flow of the NSGA-II algorithm. by Yi Tao (178829)

Subjects: “…evolutionary genetic algorithm…”

Individual expression tree. by Jin Ding (11522)

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

Subjects:

An expectation-maximization algorithm for finding noninvadable stationary states. by Robert Marsland (8616483)

Convergence curves obtained by different algorithms on 23 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

Different algorithms in 23 benchmark functions to obtain partial boxplot. by Yuqi Xiong (12343771)

Subjects:

Results obtained by different algorithms on CEC2022 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

Convergence curves obtained by different algorithms on CEC2022 benchmark functions. by Yuqi Xiong (12343771)

Subjects:

Confusion matrix of discriminant function analysis. by Thiago Orion Simões Amorim (6808244)

Subjects: