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

“…A major challenge in bioprocess simulation is the lack of physical and chemical property databases for biochemicals. A Python-based algorithm was developed for estimating the nonrandom two-liquid (NRTL) model parameters of aqueous binary systems in a straightforward manner from simplified molecular-input line-entry specification (SMILES) strings of substances in a system. …”

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

<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.…”

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

S1 File - by Yuh-Chin T. Huang (17867207)

“…<div><p>Pulmonary function tests (PFTs) are usually interpreted by clinicians using rule-based strategies and pattern recognition. …”

S1 Dataset - by Yuh-Chin T. Huang (17867207)

“…<div><p>Pulmonary function tests (PFTs) are usually interpreted by clinicians using rule-based strategies and pattern recognition. …”

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space by Koushik Naskar (7510592)

“…For the numerical case, user can directly provide <i>ab initio</i> data (adiabatic PESs and NACTs) as input files to this software or can generate those input files through in-built python codes interfacing MOLPRO followed by ADT calculation. …”

Gene content overlap in <i>RNF43 G659fs</i> mutation-specific pathways. by Alexis M. Thornton (11068403)

Search-based testing (Genetic Algorithm) - Chapter 11 of the book "Software Testing Automation" by Saeed Parsa (13893726)

“…</p> <p><br></p> <p>3. Algorithm</p> <p>Below is the main body of the test data generator program:</p> <p>  </p> <p>the main body of a Python program to generate test data for Python functions.…”

Contrast enhancement of digital images using dragonfly algorithm by Soumyajit Saha (19726163)

Data_Sheet_1_Decoding emotional resilience in aging: unveiling the interplay between daily functioning and emotional health.PDF by Minhua Guo (18392646)

CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”

CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”

CageCavityCalc (<i>C</i>3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages by Vicente Martí-Centelles (1422415)

“…Efficiently predicting such properties is critical for accelerating the discovery of novel functional cages. Herein, we introduce <i>CageCavityCalc</i> (<i>C</i>3), a Python-based tool for calculating the cavity size of molecular cages. …”

BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data by Jean-Christophe Lachance (6619307)

“…BOFdat has a modular implementation that divides the BOF definition process into three independent modules defined here as steps: 1) the coefficients for major macromolecules are calculated, 2) coenzymes and inorganic ions are identified and their stoichiometric coefficients estimated, 3) the remaining species-specific metabolic biomass precursors are algorithmically extracted in an unbiased way from experimental data. …”

Algoritmo de clasificación de expresiones de odio por tipos en español (Algorithm for classifying hate expressions by type in Spanish) by Daniel Pérez Palau (11097348)

“…</p><h2>Model Architecture</h2><p dir="ltr">The model is based on <code>pysentimiento/robertuito-base-uncased</code> with the following modifications:</p><ul><li>A dense classification layer was added over the base model</li><li>Uses input IDs and attention masks as inputs</li><li>Generates a multi-class classification with 5 hate categories</li></ul><h2>Dataset</h2><p dir="ltr"><b>HATEMEDIA Dataset</b>: Custom hate speech dataset with categorization by type:</p><ul><li><b>Labels</b>: 5 hate type categories (0-4)</li><li><b>Preprocessing</b>:</li><li>Null values ​​removed from text and labels</li><li>Reindexing and relabeling (original labels are adjusted by subtracting 1)</li><li>Exclusion of category 2 during training</li><li>Conversion of category 5 to category 2</li></ul><h2>Training Process</h2><h3>Configuration</h3><ul><li><b>Batch size</b>: 128</li><li><b>Epoches</b>: 5</li><li><b>Learning rate</b>: 2e-5 with 10% warmup steps</li><li><b>Early stopping</b> with patience=2</li><li><b>Class weights</b>: Balanced to handle class imbalance</li></ul><h3>Custom Metrics</h3><ul><li>Recall for specific classes (focus on class 2)</li><li>Precision for specific classes (focus on class 3)</li><li>F1-score (weighted)</li><li>AUC-PR</li><li>Recall at precision=0.6 (class 3)</li><li>Precision at recall=0.6 (class 2)</li></ul><h2>Evaluation Metrics</h2><p dir="ltr">The model is evaluated using:</p><ul><li>Macro recall, precision, and F1-score</li><li>One-vs-Rest AUC</li><li>Accuracy</li><li>Per-class metrics</li><li>Confusion matrix</li><li>Full classification report</li></ul><h2>Technical Features</h2><h3>Data Preprocessing</h3><ul><li><b>Tokenization</b>: Maximum length of 128 tokens (truncation and padding)</li><li><b>Encoding of labels</b>: One-hot encoding for multi-class classification</li><li><b>Data split</b>: 80% training, 10% validation, 10% testing</li></ul><h3>Optimization</h3><ul><li><b>Optimizer</b>: Adam with linear warmup scheduling</li><li><b>Loss function</b>: Categorical Crossentropy (from_logits=True)</li><li><b>Imbalance handling</b>: Class weights computed automatically</li></ul><h2>Requirements</h2><p dir="ltr">The following Python packages are required:</p><ul><li>TensorFlow</li><li>Transformers</li><li>scikit-learn</li><li>pandas</li><li>datasets</li><li>matplotlib</li><li>seaborn</li><li>numpy</li></ul><h2>Usage</h2><ol><li><b>Data format</b>:</li></ol><ul><li>CSV file or Pandas DataFrame</li><li>Required column name: <code>text</code> (string type)</li><li>Required column name: Data type label (integer type, 0-4) - optional for evaluation</li></ul><ol><li><b>Text preprocessing</b>:</li></ol><ul><li>Automatic tokenization with a maximum length of 128 tokens</li><li>Long texts will be automatically truncated</li><li>Handling of special characters, URLs, and emojis included</li></ul><ol><li><b>Label encoding</b>:</li></ol><ul><li>The model classifies hate speech into 5 categories (0-4)</li><li><code>0</code>: Political hatred: Expressions directed against individuals or groups based on political orientation.…”

Data_Sheet_1_Processing Pipeline for Atlas-Based Imaging Data Analysis of Structural and Functional Mouse Brain MRI (AIDAmri).docx by Niklas Pallast (6796196)

IJGIS-code&data.rar by Sancheng Zhu (8801357)

BOFdat Step 3: Identifying species-specific metabolic end goals. by Jean-Christophe Lachance (6619307)

List of Abbreviations by Gursimran Singh (575288)

“…For advanced users, it facilitates the seamless integration of custom functionalities and novel algorithms with minimal coding, ensuring adaptability at each design stage. …”