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.…”

Results obtained by different algorithms on 23 benchmark functions. by Yuqi Xiong (12343771)

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Convergence curves obtained by different algorithms on 23 benchmark functions. by Yuqi Xiong (12343771)

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Different algorithms in 23 benchmark functions to obtain partial boxplot. by Yuqi Xiong (12343771)

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Results obtained by different algorithms on CEC2022 benchmark functions. by Yuqi Xiong (12343771)

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Pipeline of the interactor algorithm. by Jose Cleydson F. Silva (8685594)

Convergence curves obtained by different algorithms on CEC2022 benchmark functions. by Yuqi Xiong (12343771)

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

“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”

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

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Compare algorithm parameter settings. by Yuqi Xiong (12343771)

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

Reward function related parameters. by Honglei Pang (22693724)

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The algorithm is designed to identify patterns in the treatment dataset. by Belén Otero-Carrasco (21262360)

Four typical nonlinear transformation function curves. by Yuqi Xiong (12343771)

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

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Ranking distribution and average ranking on 23 benchmark functions. by Yuqi Xiong (12343771)

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A) Ranking of models trained on different feature sets across all tested algorithms, sorted by their F1-score. by Jose Cleydson F. Silva (8685594)

Ranking distribution and average ranking on CEC2022 benchmark functions. by Yuqi Xiong (12343771)

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Isologs, function and residue information of 12 key proteins in MPV replication. by Huaichuan Duan (6458477)