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>Algorithm Pseudocode</b> by Yibin Zhao (22425801)

PyNoetic’s stimuli generation and recording module, which supports both ERP and SSVEP. by Gursimran Singh (575288)

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. …”

The results of ICA performed using PyNoetic. 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. …”

Data for "A multi-objective platform for autonomous property targeting and optimization of colloidal lead halide perovskite quantum dots" by Neal Munyebvu (19690954)

S1 Graphical abstract - by José M. Rivera-Arbeláez (12418512)

“…<div><p>Engineered heart tissues (EHTs) have shown great potential in recapitulating tissue organization, functions, and cell-cell interactions of the human heart <i>in vitro</i>. …”

Brain-in-the-Loop Learning for Intelligent Vehicle Decision-Making by Xiaofei Zhang (16483224)

“…In this paper, we utilize functional near-infrared spectroscopy (fNIRS) signals as real-time human risk-perception feedback to establish a brain-in-the-loop (BiTL) trained artificial intelligence algorithm for decision-making. …”

Mechanomics Code - JVT by Carlo Vittorio Cannistraci (5854046)

“…The functions were tested respectively in: MATLAB 2018a or youger, Python 3.9.4, R 4.0.3.…”

Predictive Analysis of Mushroom Toxicity Based Exclusively on Their Natural Habitat. by Enrico Bertozzi (22461709)

“…The analysis was conducted in a Jupyter Notebook environment, using Python and libraries such as Scikit-learn and Pandas. …”

Seamless integration of legacy robotic systems into a self-driving laboratory via NIMO: a case study on liquid handler automation by Ryo Tamura (1957942)

“…We developed NIMO (formerly NIMS-OS, NIMS Orchestration System), an OS explicitly designed to integrate multiple artificial intelligence (AI) algorithms with diverse exploratory objectives. NIMO provides a framework for integrating AI into robotic experimental systems that are controlled by other OS platforms based on both Python and non-Python languages. …”

Spatiotemporal Soil Erosion Dataset for the Yarlung Tsangpo River Basin (1990–2100) by peng xin (21382394)

“…Additionally, a Genetic Algorithm (GA) was applied in each iteration to optimize the hyperparameters of the XGBoost model, which is crucial for enhancing both the efficiency and robustness of the model (Zhong and Liu, 2024; Zou et al., 2024). …”

Landscape17 by Vlad Carare (22092515)

“…This dataset features global potential energy surface representations generated using the energy landscape framework and includes regions crucial for accurately reproducing both thermodynamic and kinetic properties. For each of the selected six molecules (ethanol, malonaldehyde, paracetamol, salicylic acid, azobenzene, and aspirin) we provide all the minima and transition states, along with configurations from the two approximate steepest-descent paths connecting each transition state to the corresponding minima, computed using hybrid-level density functional theory. …”

Code by Baoqiang Chen (21099509)

“…We implemented machine learning algorithms using the following R packages: rpart for Decision Trees, gbm for Gradient Boosting Machines (GBM), ranger for Random Forests, the glm function for Generalized Linear Models (GLM), and xgboost for Extreme Gradient Boosting (XGB). …”

Core data by Baoqiang Chen (21099509)

“…We implemented machine learning algorithms using the following R packages: rpart for Decision Trees, gbm for Gradient Boosting Machines (GBM), ranger for Random Forests, the glm function for Generalized Linear Models (GLM), and xgboost for Extreme Gradient Boosting (XGB). …”