EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب 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. …"

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

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results حسب 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). …"

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

<b>Opti2Phase</b>: Python scripts for two-stage focal reducer حسب 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 حسب Yangfan Jiang (9372782)

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... حسب Giacomo Janson (8138517)

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

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. حسب 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. …"

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space حسب 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. …"

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

S1 File - حسب Yuh-Chin T. Huang (17867207)

"…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …"

S1 Dataset - حسب Yuh-Chin T. Huang (17867207)

"…In this study, we developed a computerized algorithm using the python package (pdfplumber) and validated against clinicians’ interpretation. …"

Contrast enhancement of digital images using dragonfly algorithm حسب Soumyajit Saha (19726163)

Constructing the dynamical law. حسب Robert Marsland (8616483)

Comparison of scores obtained by our interpenetration and scoring algorithm (ISA) and ROSETTA for a subset of structures. حسب Kevin Sawade (16726527)

Dataset of networks used in assessing the Troika algorithm for clique partitioning and community detection حسب Samin Aref (4683934)

"…Each network is provided in .gml format or .pkl format which can be read into a networkX graph object using standard functions from the networkX library in Python. …"

Effect of <i>|Δd</i>_<i>n</i><i>|</i> perturbation on 3D modeling. حسب Giacomo Janson (8138517)

Modeling with uniform <i>σ</i> values. حسب Giacomo Janson (8138517)

Search-based testing (Genetic Algorithm) - Chapter 11 of the book "Software Testing Automation" حسب Saeed Parsa (13893726)

"…</p> <p><br></p> <p>3. Algorithm</p> <p>Below is the main body of the test data generator program:</p> <p>  </p> <p>the main body of a Python program to generate test data for Python functions.…"