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. …”

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

Subjects: “…evolutionary genetic algorithm…”

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

Subjects: “…evolutionary genetic algorithm…”

Python-Based Algorithm for Estimating NRTL Model Parameters with UNIFAC Model Simulation Results by Se-Hee Jo (20554623)

Subjects: “…differential evolution algorithm…”

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

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

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)

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)

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

Subjects:

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)

Subjects: “…Monte Carlo simulation, Radiation transfer, Multiple scattering algorithm, Temporal correlation function…”

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)

Subjects:

Algorithm used for important sampling of the likelihood function. by Zhiyong Huang (3620000)

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

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`. …”

MSEs for the adaptive filtering algorithms by using hyperbolic functions. by Sihai Guan (11547518)

Subjects: