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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …”
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Results of the application of different clustering algorithms to average functional connectivity from healthy subjects.
Published 2023“…Hierarchical clustering was computed using the scikit learn module in Python. C) Dendrogram of averaged functional connectivity from healthy subjects. …”
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Comparison of scores obtained by our interpenetration and scoring algorithm (ISA) and ROSETTA for a subset of structures.
Published 2023“…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>]).…”
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The results of ICA performed using PyNoetic.
Published 2025“…For advanced users, it facilitates the seamless integration of custom functionalities and novel algorithms with minimal coding, ensuring adaptability at each design stage. …”
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List of Abbreviations
Published 2025“…For advanced users, it facilitates the seamless integration of custom functionalities and novel algorithms with minimal coding, ensuring adaptability at each design stage. …”
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DataSheet1_Multi_Scale_Tools: A Python Library to Exploit Multi-Scale Whole Slide Images.PDF
Published 2021“…It aims to be easy to use and easy to be improved with additional functions.…”
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Image_1_KairoSight: Open-Source Software for the Analysis of Cardiac Optical Data Collected From Multiple Species.TIF
Published 2021“…<p>Cardiac optical mapping, also known as optocardiography, employs parameter-sensitive fluorescence dye(s) to image cardiac tissue and resolve the electrical and calcium oscillations that underly cardiac function. This technique is increasingly being used in conjunction with, or even as a replacement for, traditional electrocardiography. …”
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S1 Graphical abstract -
Published 2025“…Currently, multiple EHT platforms are used by both industry and academia for different applications, such as drug discovery, disease modelling, and fundamental research. …”
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Brain-in-the-Loop Learning for Intelligent Vehicle Decision-Making
Published 2025“…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. …”
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Landscape17
Published 2025“…We validated the convergence, grid, and spin settings against published data from rMD17, using the appropriate functional and basis set: PBE/def2-SVP. …”
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Predictive Analysis of Mushroom Toxicity Based Exclusively on Their Natural Habitat.
Published 2025“…The analysis was conducted in a Jupyter Notebook environment, using Python and libraries such as Scikit-learn and Pandas. …”
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Datasheet1_A Workflow for Rapid Unbiased Quantification of Fibrillar Feature Alignment in Biological Images.zip
Published 2021“…<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. …”
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Mechanomics Code - JVT
Published 2025“…At the beginning of the code, there is a help section that explains how to use it.<br></li><li>Python (written by Syed Shafat Ali and tested by Yan Ge): analogous functions of the MATLAB folder. …”
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Spatiotemporal Soil Erosion Dataset for the Yarlung Tsangpo River Basin (1990–2100)
Published 2025“…The corrected bias functions were then applied to adjust the years (2020–2100) of daily rainfall data using the "ibicus" package, an open-source Python tool for bias adjustment and climate model evaluation. …”
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Decoding fairness motivations - repository
Published 2020“…</div><div>To obtain neural activation patterns for multivariate analysis individual time series were modeled using a double γ hemodynamic response function in a single trial GLM design using FSL’s FEAT. …”
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Seamless integration of legacy robotic systems into a self-driving laboratory via NIMO: a case study on liquid handler automation
Published 2025“…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. …”