Výsledky vyhledávání - "Python Module"

cgbind : A Python Module and Web App for Automated Metallocage Construction and Host-Guest Characterization Autor Young, Tom A, Gheorghe, Razvan, Duarte, Fernanda

“…Metallocages offer a diverse and underexplored region of chemical space in which to search for novel catalysts and substrate hosts. However, the ability to…”
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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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Astroalign: A Python module for astronomical image registration Autor Beroiz, M., Cabral, J.B., Sanchez, B.

“…We present an algorithm implemented in the Astroalign Python module for image registration in astronomy…”
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Dyconnmap: Dynamic connectome mapping—A neuroimaging python module Autor Marimpis, Avraam D., Dimitriadis, Stavros I., Goebel, Rainer

“…Despite recent progress in the analysis of neuroimaging data sets, our comprehension of the main mechanisms and principles which govern human brain cognition…”
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Pyvolve: A Flexible Python Module for Simulating Sequences along Phylogenies Autor Spielman, Stephanie J., Wilke, Claus O.

“…We introduce Pyvolve, a flexible Python module for simulating genetic data along a phylogeny using continuous-time Markov models of sequence evolution…”
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Open-source python module for automated preprocessing of near infrared spectroscopic data Autor Torniainen, Jari, Afara, Isaac O., Prakash, Mithilesh, Sarin, Jaakko K., Stenroth, Lauri, Töyräs, Juha

“…Near infrared spectroscopy (NIRS) is an analytical technique for determining the chemical composition or structure of a given sample. For several decades, NIRS…”
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pymzML—Python module for high-throughput bioinformatics on mass spectrometry data Autor Bald, Till, Barth, Johannes, Niehues, Anna, Specht, Michael, Hippler, Michael, Fufezan, Christian

“…pymzML is an extension to Python that offers (i) an easy access to mass spectrometry (MS) data that allows the rapid development of tools, (ii) a very fast…”
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MLLPA: A Machine Learning‐assisted Python module to study phase‐specific events in lipid membranes Autor Walter, Vivien, Ruscher, Céline, Benzerara, Olivier, Thalmann, Fabrice

“…Machine Learning‐assisted Lipid Phase Analysis (MLLPA) is a new Python 3 module developed to analyze phase domains in a lipid membrane based on lipid molecular…”
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HemiPy: A Python module for automated estimation of forest biophysical variables and uncertainties from digital hemispherical photographs Autor Brown, Luke A., Morris, Harry, Leblanc, Sylvain, Bai, Gabriele, Lanconelli, Christian, Gobron, Nadine, Meier, Courtney, Dash, Jadunandan

“… To address these limitations, we present HemiPy, an open‐source Python module for deriving forest biophysical variables and uncertainties from DHP images in an automated manner…”
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SLEEPY: a comprehensive Python module for simulating relaxation and dynamics in nuclear magnetic resonance Autor Smith, Albert A., Zumpfe, Kai

“…), none of these are focused on easy simulation of motional effects on NMR experiments. The SLEEPY Python module makes it straightforward to simulate arbitrary pulse sequences while including both relaxation and exchange processes…”
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grand: A Python Module for Grand Canonical Water Sampling in OpenMM Autor Samways, Marley L, Bruce Macdonald, Hannah E, Essex, Jonathan W

“… from the system, according to the chemical potential. Here, we present our open source Python module, (https://github.com/essex-lab/grand…”
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ABrox—A user-friendly Python module for approximate Bayesian computation with a focus on model comparison Autor Mertens, Ulf Kai, Voss, Andreas, Radev, Stefan

“…We give an overview of the basic principles of approximate Bayesian computation (ABC), a class of stochastic methods that enable flexible and likelihood-free…”
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MD2D: A python module for accurate determination of diffusion coefficient from molecular dynamics Autor Li, Yunguo, Ni, Huaiwei

“… We present a python module to facilitate the accurate determination of self-diffusion coefficient from the Einstein relation…”
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PeakOTron: A Python module for fitting charge spectra of Silicon Photomultipliers Autor Rolph, Jack, Garutti, Erika, Klanner, Robert, Quadfasel, Tobias, Schwandt, Jörn

“…A Python program has been developed which fits a published detector-response model to SiPM charge spectra to characterise SiPMs. Spectra for SiPMs illuminated…”
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PyChart - A Python module for analysis and visual view of 2D/3D Charts Autor Nedelcu, D, Latinovic, T

“…The paper describes the PyChart module (aimed at analysis and visual view of 2D/3D Charts), which was created with the help of free and Open Source resources,…”
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Morphoscanner2.0: A new python module for analysis of molecular dynamics simulations Autor Fontana, Federico, Carlino, Calogero, Malik, Ashish, Gelain, Fabrizio

“…Molecular dynamics simulations, at different scales, have been exploited for investigating complex mechanisms ruling biologically inspired systems…”
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The nPYc-Toolbox, a Python module for the pre-processing, quality-control and analysis of metabolic profiling datasets Autor Sands, Caroline J, Wolfer, Arnaud M, Correia, Gonçalo D S, Sadawi, Noureddin, Ahmed, Arfan, Jiménez, Beatriz, Lewis, Matthew R, Glen, Robert C, Nicholson, Jeremy K, Pearce, Jake T M

“…As large-scale metabolic phenotyping studies become increasingly common, the need for systemic methods for pre-processing and quality control (QC) of…”
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PyOMA and PyOMA_GUI: A Python module and software for Operational Modal Analysis Autor Pasca, Dag Pasquale, Aloisio, Angelo, Rosso, Marco Martino, Sotiropoulos, Stefanos

“…–output identification methods. In the current work the authors present the implementation of a Python module named PyOMA and its Graphical User Interface (GUI) PyOMA_GUI…”
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PyDigitizer – A Python module for digitizing 2D curves Autor Nedelcu, D, Latinovic, T, Sikman, L

“…The paper presents a PyDigitizer application designed to extract numerical coordinates of existing curves from image format. The application is created in the…”
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Measure Identification for the Choquet Integral: A Python Module Autor Türkarslan, Ezgi, Torra, Vicenç

“…Fuzzy integrals are common concepts which are used to aggregate input values in practical applications. Aggregation of inputs using fuzzy integrals opens up…”
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