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. …”

Multidomain, Automated Photopatterning of DNA-functionalized Hydrogels (MAPDH). by Moshe Rubanov (7289156)

“…<b>B)</b> Pseudocode for MAPDH in Python. The algorithm takes as input the vials that will be flowed through the patterning chamber. …”

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.…”

Integration of Morphoscanner with MDAnalysis, NGLview and Networkx. by Federico Fontana (533670)

Where to Handle an Exception? Recommending Exception Handling Locations from a Global Perspective by Xiangyang Jia (10026932)

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

Comparison of computational cost between SBOA and MESBOA. by Yuqi Xiong (12343771)

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-value on CEC2022 (dim = 20). by Yuqi Xiong (12343771)

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Flowchart of low-light image enhancement based on MESBOA. by Yuqi Xiong (12343771)

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Flowchart of low-light image enhancement based on MESBOA. by Yuqi Xiong (12343771)

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Precision elimination strategy. by Yuqi Xiong (12343771)

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Results of low-light image enhancement test. by Yuqi Xiong (12343771)

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Evaluation metrics obtained by SBOA and MESBOA. by Yuqi Xiong (12343771)

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Lens imaging opposition-based learning. by Yuqi Xiong (12343771)

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Human expert pattern recognition. by Robin Dirk (17296179)

Antibody challenge outcomes. by Andrea Blasco (7439102)

“…Also shown is the benchmark algorithm implemented in Python (A1) and C++ (A2); note that benchmark algorithms A1 and A2 have perfect accuracy (<i>ACC</i> equal to unity). …”

Artifact and instructions to generate experimental results for Euro-Par 2019 paper "A Comparison of Random Task Graph Generation Methods for Scheduling Problems" by Louis-Claude Canon (569406)

Bespoke software controls the sorter GUI and reports on instrument status to the user. by Diane M. Wiener (1956583)

Drug Release Nanoparticle System Design: Data Set Compilation and Machine Learning Modeling by Shan He (121220)

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