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

“…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …”

The optimal solution set of NYN by using different algorithms. by Yi Tao (178829)

The optimal solution set of HN by using different algorithms. by Yi Tao (178829)

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). …”

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)

Verification of the in-line PS function. by Raul Castañeda (13932971)

Available functions in the utility package. by Raul Castañeda (13932971)

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

“…<p dir="ltr"><b>Opti2Phase: Python Scripts for Two-Stage Focal Reducer Design</b></p><p dir="ltr">The folder <b>Opti2Phase</b> contains the Python scripts used to generate the results presented in the manuscript. …”

Available functions in the phase-shifting package. by Raul Castañeda (13932971)

Available functions in the numerical propagation package. by Raul Castañeda (13932971)

Available functions in the phase reconstruction package. by Raul Castañeda (13932971)

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

“…Hierarchical clustering was computed using the scikit learn module in Python. C) Dendrogram of averaged functional connectivity from healthy subjects. …”

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

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

Cost functions implemented in Neuroptimus. by Máté Mohácsi (20469514)

Reward function related parameters. by Honglei Pang (22693724)

“…A multi-objective reward function is formulated using stability indicators, including critical tire slip angle, critical sideslip angle, and critical yaw rate thresholds. …”

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

“…</div><div><br></div><div>The `TAMS` folder contains the necessary files to run the TAMS algorithm. The `main.py` file is the file to be executed using a command of the type `python main.py`. …”

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

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)

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

“…<div><p>Chest X-ray image classification plays an important role in medical diagnostics. Machine learning algorithms enhanced the performance of these classification algorithms by introducing advance techniques. …”