Suchergebnisse - (( (state:mi OR state) python code analysis ) OR ( state:in python code analysis ))

Identification of Novel Microcystins Using High-Resolution MS and MSn with Python Code von Baliu-Rodriguez, David, Peraino, Nicholas J, Premathilaka, Sanduni H, Birbeck, Johnna A, Baliu-Rodriguez, Tomás, Westrick, Judy A, Isailovic, Dragan

“… Cyanotoxins called microcystins (MCs) are highly toxic and can be present in drinking water sources. Determining the structure of MCs is paramount because of …”
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Analysis methods and code for very high-precision mass measurements of unstable isotopes von Karthein, J., Atanasov, D., Blaum, K., Lunney, D., Manea, V., Mougeot, M.

“… We present a robust analysis code developed in the Python language and incorporating libraries of the ROOT data analysis framework for the state-of-the-art mass spectrometry method called phase …”
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PyLAT: Python LAMMPS Analysis Tools von Humbert, Michael T, Zhang, Yong, Maginn, Edward J

“… Here we describe a suite of open-source Python-based postprocessing routines we have developed called PyLAT …”
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GSEApy: a comprehensive package for performing gene set enrichment analysis in Python von Fang, Zhuoqing, Liu, Xinyuan, Peltz, Gary

“… Abstract Motivation Gene set enrichment analysis (GSEA) is a commonly used algorithm for characterizing gene expression changes …”
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A Study of Large Language Models in Detecting Python Code Violations von Mohammed Salih, Hekar A., Sarhan, Qusay I.

“… Common static code analysis tools for Python, such as Pylint and Flake8, are widely used to enforce code quality by detecting coding violations without executing the code …”
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Coherent manipulation of the internal state of ultracold 87Rb133Cs molecules with multiple microwave fields von Blackmore, Jacob A, Gregory, Philip D, Bromley, Sarah L, Cornish, Simon L

“… We explore coherent multi-photon processes in 87Rb133Cs molecules using 3-level lambda and ladder configurations of rotational and hyperfine states, and discuss their relevance to future applications …”
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Pyteomics—a Python Framework for Exploratory Data Analysis and Rapid Software Prototyping in Proteomics von Goloborodko, Anton A., Levitsky, Lev I., Ivanov, Mark V., Gorshkov, Mikhail V.

“… Pyteomics is a cross-platform, open-source Python library providing a rich set of tools for MS-based proteomics …”
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VULCAN: An Open-source, Validated Chemical Kinetics Python Code for Exoplanetary Atmospheres von Tsai, Shang-Min, Lyons, James R., Grosheintz, Luc, Rimmer, Paul B., Kitzmann, Daniel, Heng, Kevin

“… We present an open-source and validated chemical kinetics code for studying hot exoplanetary atmospheres, which we name VULCAN …”
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Short communication: age2exhume – a MATLAB/Python script to calculate steady-state vertical exhumation rates from thermochronometric ages and application to the Himalaya von van der Beek, Peter, Schildgen, Taylor F.

“… datasets in such models remains challenging. Here, we present age2exhume, a thermal model in the form of a MATLAB or Python script, which can be used to rapidly obtain …”
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MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials von Singh, Sobhit, Lang, Logan, Dovale-Farelo, Viviana, Herath, Uthpala, Tavadze, Pedram, Coudert, François-Xavier, Romero, Aldo H.

“… The MechElastic Python package evaluates the mechanical and elastic properties of bulk and 2D materials using the elastic coefficient matrix (Cij …”
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PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations von Reis, Pedro B P S, Vila-Viçosa, Diogo, Rocchia, Walter, Machuqueiro, Miguel

“… The protonation of titratable residues has a significant impact on the structure and function of biomolecules, influencing many physicochemical and ADME …”
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Percolation theory using Python von Malthe-Sørenssen, Anders

“… Readers will learn how to generate, analyze, and comprehend data and models, with detailed theoretical discussions complemented by accessible computer codes …”
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AMADAR: a python-based package for large scale prediction of Diels–Alder transition state geometries and IRC path analysis von Isamura, Bienfait K., Lobb, Kevin A.

“… Predicting transition state geometries is one of the most challenging tasks in computational chemistry, which often requires expert-based knowledge and permanent human intervention …”
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stk: A python toolkit for supramolecular assembly von Turcani, Lukas, Berardo, Enrico, Jelfs, Kim E.

“… stk is a modular, extensible and open‐source Python library that provides a simple Python API and integration with third party computational codes …”
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scFates: a scalable python package for advanced pseudotime and bifurcation analysis from single-cell data von Faure, Louis, Soldatov, Ruslan, Kharchenko, Peter V, Adameyko, Igor

“… Abstract Summary scFates provides an extensive toolset for the analysis of dynamic trajectories comprising tree learning, feature association testing, branch differential expression and with a …”
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The fast azimuthal integration Python library: pyFAI von Ashiotis, Giannis, Deschildre, Aurore, Nawaz, Zubair, Wright, Jonathan P., Karkoulis, Dimitrios, Picca, Frédéric Emmanuel, Kieffer, Jérôme

“… It is written in Python (with binary submodules for improved performance), a language widely accepted and used by the scientific community today, which enables users to easily incorporate the pyFAI library into their processing pipeline …”
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PHOTONAI—A Python API for rapid machine learning model development von Leenings, Ramona, Winter, Nils Ralf, Plagwitz, Lucas, Holstein, Vincent, Ernsting, Jan, Sarink, Kelvin, Fisch, Lukas, Steenweg, Jakob, Kleine-Vennekate, Leon, Gebker, Julian, Emden, Daniel, Grotegerd, Dominik, Opel, Nils, Risse, Benjamin, Jiang, Xiaoyi, Dannlowski, Udo, Hahn, Tim

“… PHOTONAI is a high-level Python API designed to simplify and accelerate machine learning model development …”
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pyComBat, a Python tool for batch effects correction in high-throughput molecular data using empirical Bayes methods von Behdenna, Abdelkader, Colange, Maximilien, Haziza, Julien, Gema, Aryo, Appé, Guillaume, Azencott, Chloé-Agathe, Nordor, Akpéli

“… Results In this technical note, we present a new Python implementation of ComBat and ComBat-Seq …”
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pyIAST: Ideal adsorbed solution theory (IAST) Python package von Simon, Cory M., Smit, Berend, Haranczyk, Maciej

“… We present an open-source, user-friendly Python package, pyIAST, to perform IAST calculations for an arbitrary number of components …”
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Snakes on a Spaceship - An Overview of Python in Heliophysics von Burrell, A.G., Halford, A., Klenzing, J., Stoneback, R. A., Morley, S. K., Annex, A. M., Laundal, K. M., Kellerman, A. C., Stansby, D., Ma, J.

“… Computational analysis has become ubiquitous within the heliophysics community. However, community standards for peer review of codes and analysis have lagged behind these developments …”
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