Suchergebnisse - (( (state:mi OR state) python code analysis ) OR ( statni 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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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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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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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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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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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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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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GPAW: An open Python package for electronic structure calculations von Mortensen, Jens Jørgen, Larsen, Ask Hjorth, Kuisma, Mikael, Ivanov, Aleksei V, Taghizadeh, Alireza, Peterson, Andrew, Haldar, Anubhab, Dohn, Asmus Ougaard, Schäfer, Christian, Jónsson, Elvar Örn, Hermes, Eric D, Nilsson, Fredrik Andreas, Kastlunger, Georg, Levi, Gianluca, Jónsson, Hannes, Häkkinen, Hannu, Fojt, Jakub, Kangsabanik, Jiban, Sødequist, Joachim, Lehtomäki, Jouko, Heske, Julian, Enkovaara, Jussi, Winther, Kirsten Trøstrup, Dulak, Marcin, Melander, Marko M, Ovesen, Martin, Louhivuori, Martti, Walter, Michael, Gjerding, Morten, Lopez-Acevedo, Olga, Erhart, Paul, Warmbier, Robert, Würdemann, Rolf, Kaappa, Sami, Latini, Simone, Boland, Tara Maria, Bligaard, Thomas, Skovhus, Thorbjørn, Susi, Toma, Maxson, Tristan, Rossi, Tuomas, Chen, Xi, Schmerwitz, Yorick Leonard A, Schiøtz, Jakob, Olsen, Thomas, Jacobsen, Karsten Wedel, Thygesen, Kristian Sommer

“… We review the GPAW open-source Python package for electronic structure calculations …”
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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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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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Pyleoclim: Paleoclimate Timeseries Analysis and Visualization With Python von Khider, Deborah, Emile‐Geay, Julien, Zhu, Feng, James, Alexander, Landers, Jordan, Ratnakar, Varun, Gil, Yolanda

“… We present a Python package geared toward the intuitive analysis and visualization of paleoclimate timeseries, Pyleoclim. The code is open‐source, object …”
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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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