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. …”

Results of the application of different clustering algorithms to average functional connectivity from healthy subjects. by Francisco Páscoa dos Santos (16510676)

“…<p>A) Resulting cluster inertia from applying the k-means algorithm described in the methods to empirical averaged functional connectivity from healthy subjects, with different numbers of clusters. …”

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

<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)

gmxapi usage examples. by M. Eric Irrgang (4487278)

Comparison of scores obtained by our interpenetration and scoring algorithm (ISA) and ROSETTA for a subset of structures. by Kevin Sawade (16726527)

“…However, our algorithm was 1000 times faster than pyROSETTA (both algorithms have been parallelized on a per-structure basis using the Python package joblib [<a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1010531#pcbi.1010531.ref069" target="_blank">69</a>]).…”

The figures showed a comparison of the balanced and imbalanced sequences and performance of classifiers. by Solomon Shiferaw Beyene (9143178)

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. …”

Schematic example of multiscale modelling implementation. by Robyn M. Stuart (3754000)

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

DataSheet1_Multi_Scale_Tools: A Python Library to Exploit Multi-Scale Whole Slide Images.PDF by Niccolò Marini (11247936)

“…The multi-scale CNNs outperform the single-magnification CNN for both classification and segmentation tasks. The code is developed in Python and it will be made publicly available upon publication. …”

Image_1_KairoSight: Open-Source Software for the Analysis of Cardiac Optical Data Collected From Multiple Species.TIF by Blake L. Cooper (11622613)

“…Despite the refinement of software tools and algorithms, significant programming expertise is often required to analyze large optical data sets, and data analysis can be laborious and time-consuming. …”

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. …”

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. …”

Datasheet1_A Workflow for Rapid Unbiased Quantification of Fibrillar Feature Alignment in Biological Images.zip by Stefania Marcotti (5896853)

“…<p>Measuring the organization of the cellular cytoskeleton and the surrounding extracellular matrix (ECM) is currently of wide interest as changes in both local and global alignment can highlight alterations in cellular functions and material properties of the extracellular environment. …”

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. …”

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). …”