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

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

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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. …”

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

“…</p><p dir="ltr">The package includes:</p><ul><li>Scripts for first-order analysis, third-order modeling, optimization using a Physically Grounded Merit Function (PGMF), and RMS-based refinement.</li><li>A subfolder named <b>Images</b>, which stores the figures generated by six of the seven provided scripts.…”

A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases by Maru Song (22593561)

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The pseudocode for the NAFPSO algorithm. by Huichao Guo (14515171)

“…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. …”

PSO algorithm flowchart. by Huichao Guo (14515171)

“…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. …”

Comparison of different algorithms. by Dawei Wang (471687)

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

“…<i>(c)</i> Pseudocode for self-consistently computing <b>R</b>* and , which is identical to standard expectation-maximization algorithms employed for problems with latent variables in machine learning.…”

Scheduling time of five algorithms. by Huichao Guo (14515171)

“…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. …”

Convergence speed of five algorithms. by Huichao Guo (14515171)

“…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. …”

Procedure of the DCT-based EIT algorithm. by Rongqing Chen (249906)

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Multi-algorithm comparison figure. by Dawei Wang (471687)

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If datasets are small and/or noisy, linear-regression-based algorithms for identifying functional groups outperform more complex versions. by Yuanchen Zhao (12905580)

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CEC2017 basic functions. by Tengfei Ma (597633)

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Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy by Yujin Wu (2901128)

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Flexible CDOCKER: Hybrid Searching Algorithm and Scoring Function with Side Chain Conformational Entropy by Yujin Wu (2901128)

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

“…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”

Example of landmark registration to align ‘peaks’ of high density in the probability density function (PDF) of CD4 expression on blood T cells for a target distribution and chosen... by Ross J. Burton (10941910)

AUC scores of anomaly detection algorithms. by GaoXiang Zhao (21499525)

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