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

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

“…For a RDKit molecule, it provides (i) a PNG binary string with an image of the molecule with color-highlighted functional groups; (ii) a list of sets of atom indices (idx), each set corresponding to a functional group; (iii) a list of pseudo-SMILES canonicalized strings for the full functional groups; and (iv) a list of RDKit labeled mol objects, one for each full functional group. …”

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.…”

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

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

Subjects:

Average quality scores of the models of the analysis set as a function of the <i>w</i>_<i>SP</i> with which the DOPE potential has been included in the objective function... by Giacomo Janson (8138517)

Compare algorithm parameter settings. by Yuqi Xiong (12343771)

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. …”

Python scripts used to model CPU errors by Poisson distribution density mass function and to draw graph of Poisson events (needs Matplot, SciPy, PysimpleGUI and NumPy) by Santhosh Kumar Rajamani (13023678)

Fuzzy membership functions for yaw with Δ<i>ρ</i>_<i>u</i>. by Yasir Mehmood (744452)

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.). …”

Fuzzy membership functions for longitudinal velocity with Δ<i>ρ</i>_<i>θ</i>. by Yasir Mehmood (744452)

Multi-functional liquid crystal devices based on random binary matrix algorithm by Tibin Zeng (10890697)

“…<p>Multi-functional diffraction gratings have found broad applications in laser processing, medicine, beam manipulation, etc. …”

A parabolic relationship between prediction errors and learning rates obtained by a cubic learning algorithm. by Boluwatife Ikwunne (22238697)

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. by Francisco Páscoa dos Santos (16510676)

“…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …”

-value on 23 benchmark functions (dim = 30). by Yuqi Xiong (12343771)

Subjects:

Adaptive H-REMD simulation algorithm. by Danial Pourjafar-Dehkordi (7165523)

Example of the CNF function for off-axis DHM holograms recorded in a non-telecentric configuration. by Raul Castañeda (13932971)

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

“…For the numerical case, user can directly provide <i>ab initio</i> data (adiabatic PESs and NACTs) as input files to this software or can generate those input files through in-built python codes interfacing MOLPRO followed by ADT calculation. …”