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   Articles with "python package" as a keyword



CMRsim–A python package for cardiovascular MR simulations incorporating complex motion and flow

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recommendations! Published in 2024 at "Magnetic Resonance in Medicine"

DOI: 10.1002/mrm.30010

Abstract: To present an open‐source MR simulation framework that facilitates the incorporation of complex motion and flow for studying cardiovascular MR (CMR) acquisition and reconstruction. read more here.

Keywords: python package; complex motion; motion flow; cmrsim python ... See more keywords
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CameraTransform: A Python package for perspective corrections and image mapping

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recommendations! Published in 2019 at "SoftwareX"

DOI: 10.1016/j.softx.2019.100333

Abstract: Camera images and video recordings are simple and non-invasive tools to investigate animals in their natural habitat. Quantitative evaluations, however, often require an exact reconstruction of object positions, sizes, and distances in the image. Here,… read more here.

Keywords: camera; python package; image; cameratransform python ... See more keywords
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irradpy: Python package for MERRA-2 download, extraction and usage for clear-sky irradiance modelling

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recommendations! Published in 2020 at "Solar Energy"

DOI: 10.1016/j.solener.2020.02.061

Abstract: Abstract Clear-sky irradiance modelling requires many input variables to access the best available methodologies in literature. It is the authors’ experience that there are unnecessary computational barriers to obtaining and using the data needed for… read more here.

Keywords: irradiance; irradiance modelling; clear sky; sky irradiance ... See more keywords

RDCanon: A Python Package for Canonicalizing the Order of Tokens in SMARTS Queries

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recommendations! Published in 2024 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.4c00138

Abstract: SMARTS is a widely used language in cheminformatics for defining substructural queries for database lookups, reaction templates for chemical transformations, and other applications. As an extension to SMILES, many SMARTS patterns can represent the same… read more here.

Keywords: smarts queries; rdcanon python; queries rdcanon; python package ... See more keywords

Dedenser: A Python Package for Clustering and Downsampling Chemical Libraries

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recommendations! Published in 2025 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.4c01980

Abstract: The screening of chemical libraries is an essential starting point in the drug discovery process. While some researchers desire a more thorough screening of drug targets against a narrower scope of molecules, it is not… read more here.

Keywords: chemical; chemical libraries; python package; dedenser python ... See more keywords

FibrilGen: A Python Package for Atomistic Modeling of Peptide β-Sheet Nanostructures

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recommendations! Published in 2025 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.5c02108

Abstract: For de novo peptide-based nanomaterials that rely on the rational design of the peptide primary sequence, a systematic approach to computationally model the diverse and complex potential nanostructures formed by self-assembling peptides would be of… read more here.

Keywords: sheet; fibrilgen python; python package; package atomistic ... See more keywords

PolyPal: A Python Package for Molecular Dynamics Simulation of Amorphous Polymers.

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recommendations! Published in 2025 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.5c00254

Abstract: Easily tunable and processable, porous organic polymers (POPs) have found increasing utility in various applications. Molecular modeling and simulations are invaluable tools in polymer science but remain under-reported in the POP literature. Accurate modeling and… read more here.

Keywords: polypal python; package molecular; python package; molecular dynamics ... See more keywords

DancePartner: Python Package to Mine Multiomics Relationship Networks from Literature and Databases.

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recommendations! Published in 2025 at "Journal of proteome research"

DOI: 10.1021/acs.jproteome.5c00520

Abstract: A goal of multiomics experiments is to understand how mechanistic molecular biology is altered between conditions, typically a control group and experimental groups. Oftentimes, this involves studying changes in biomolecule relationships (e.g., interactions and metabolic… read more here.

Keywords: literature databases; dancepartner python; python package; relationship ... See more keywords

Analysis of the abundance and diversity of RNA secondary structure elements in RNA viruses using the RNAsselem Python package

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recommendations! Published in 2024 at "Scientific Reports"

DOI: 10.1038/s41598-024-80240-5

Abstract: Recent advancements in experimental and computational methods for RNA secondary structure detection have revealed the crucial role of RNA structural elements in diverse molecular processes within living cells. It has been demonstrated that the secondary… read more here.

Keywords: structure; python package; secondary structure; structure elements ... See more keywords

infomeasure: a comprehensive Python package for information theory measures and estimators

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recommendations! Published in 2025 at "Scientific Reports"

DOI: 10.1038/s41598-025-14053-5

Abstract: Information theory, i.e. the mathematical analysis of information and of its processing, has become a tenet of modern science; yet, its use in real-world studies is usually hindered by its computational complexity, the lack of… read more here.

Keywords: python package; information; information theory;

pyPFC: An Open-Source Python Package for Phase Field Crystal Simulations

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recommendations! Published in 2025 at "Modelling and Simulation in Materials Science and Engineering"

DOI: 10.1088/1361-651x/ae2599

Abstract: pyPFC is a comprehensive open-source Python package for setting up, running and analyzing 3D phase field crystal (PFC) simulations. The object-oriented code is designed to take full advantage of GPU acceleration, but can also be… read more here.

Keywords: phase field; open source; python package; package ... See more keywords