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). …”

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)

<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.…”

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)

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)

Curves of sigmoid functions used in our proposed algorithm. by Binh Thanh Dang (12368831)

“…<p>Curves of sigmoid functions used in our proposed algorithm.</p>…”

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

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…”

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

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

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

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

Results of the PSO-Kmeans-ANMS algorithm for the Rastrigin function. by Rutinaldo Aguiar Nascimento (14259594)

Subjects:

Results of the PSO-Kmeans-ANMS algorithm for the Rosenbrock function. by Rutinaldo Aguiar Nascimento (14259594)

Subjects:

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

Standard benchmark functions used for the experimentation of EOSA and other similar optimization algorithms. by Tehnan I. A. Mohamed (16846175)

“…<p>Standard benchmark functions used for the experimentation of EOSA and other similar optimization algorithms.…”