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

The CoLoMoTo Interactive Notebook: Accessible and Reproducible Computational Analyses for Qualitative Biological Networks von Naldi, Aurélien, Hernandez, Céline, Levy, Nicolas, Stoll, Gautier, Monteiro, Pedro T., Chaouiya, Claudine, Helikar, Tomáš, Zinovyev, Andrei, Calzone, Laurence, Cohen-Boulakia, Sarah, Thieffry, Denis, Paulevé, Loïc

“… The accessibility and reproducibility of such workflows is challenging, as publications often overlook analysis details, and because some of these tools may be difficult to install, and/or have a steep learning curve …”
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Development of a New Thermal-Hydraulic Module for FRENETIC, a Code for the Multiphysics Analysis of Liquid Metal-Cooled Reactors von Lombardo, Antonino, Nallo, Giuseppe F., Abrate, Nicolò, Liu, Yapeng, Dulla, Sandra

“… The code performs steady-state and transient neutronic (NE) and TH coupled calculations while maintaining a relatively low computational cost thanks to the adoption of simplified physical models …”
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Avogadro: an advanced semantic chemical editor, visualization, and analysis platform von Hanwell, Marcus D, Curtis, Donald E, Lonie, David C, Vandermeersch, Tim, Zurek, Eva, Hutchison, Geoffrey R

“… Results The work presented here details the Avogadro library, which is a framework providing a code library and application programming interface (API …”
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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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NuRadioMC: simulating the radio emission of neutrinos from interaction to detector von Glaser, C., García-Fernández, D., Nelles, A., Alvarez-Muñiz, J., Barwick, S. W., Besson, D. Z., Clark, B. A., Connolly, A., Deaconu, C., de Vries, K. D., Hanson, J. C., Hokanson-Fasig, B., Lahmann, R., Latif, U., Kleinfelder, S. A., Persichilli, C., Pan, Y., Pfendner, C., Plaisier, I., Seckel, D., Torres, J., Toscano, S., van Eijndhoven, N., Vieregg, A., Welling, C., Winchen, T., Wissel, S. A.

“… NuRadioMC is designed as a modern, modular Python-based framework, combining flexibility in detector design with user-friendliness …”
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REGALS : a general method to deconvolve X-ray scattering data from evolving mixtures von Meisburger, Steve P., Xu, Da, Ando, Nozomi

“… Mixtures of biological macromolecules are inherently difficult to study using structural methods, as increasing complexity presents new challenges for data analysis …”
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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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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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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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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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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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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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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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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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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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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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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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Detecting Memory Errors in Python Native Code by Tracking Object Lifecycle with Reference Count von Ma, Xutong, Yan, Jiwei, Zhang, Hao, Yan, Jun, Zhang, Jian

“… To detect such problems, state-of-the-art approaches have made groundbreaking contributions to identifying inappropriate final refcount values before returning from native code to Python …”
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Nmrglue: an open source Python package for the analysis of multidimensional NMR data von Helmus, Jonathan J., Jaroniec, Christopher P.

“… When used in combination with other Python scientific libraries, nmrglue provides a highly flexible and robust environment for spectral processing, analysis and visualization and includes a number …”
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