Výsledky vyhledávání - (( (state:ny OR state) python code analysis ) OR ( statneeeeni python code analysis ))

Identification of Novel Microcystins Using High-Resolution MS and MSn with Python Code Autor 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 Autor 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 Autor 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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MEG and EEG data analysis with MNE-Python Autor Gramfort, Alexandre

“… As part of the MNE software suite, MNE-Python is an open-source software package that addresses this challenge by providing state-of-the-art algorithms implemented in Python that cover multiple…”
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PyLAT: Python LAMMPS Analysis Tools Autor 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 Autor 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 Autor 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 Autor 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 Autor 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 Autor 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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Evaluating Large Language Models in Class-Level Code Generation Autor Du, Xueying, Liu, Mingwei, Wang, Kaixin, Wang, Hanlin, Liu, Junwei, Chen, Yixuan, Feng, Jiayi, Sha, Chaofeng, Peng, Xin, Lou, Yiling

“…Recently, many large language models (LLMs) have been proposed, showing advanced proficiency in code generation…”
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Domain Knowledge Matters: Improving Prompts with Fix Templates for Repairing Python Type Errors Autor Peng, Yun, Gao, Shuzheng, Gao, Cuiyun, Huo, Yintong, Lyu, Michael R.

“…As a dynamic programming language, Python has become increasingly popular in recent years…”
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Discovering Repetitive Code Changes in Python ML Systems Autor Dilhara, Malinda, Ketkar, Ameya, Sannidhi, Nikhith, Dig, Danny

“… Despite the extraordinary rise in popularity of Python-based ML systems, they do not benefit from these advances…”
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PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations Autor 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 Autor 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 Autor 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 Autor 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 Autor 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 Autor 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 Autor 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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