Search Results - modular python package

PyFasma: an open-source, modular Python package for preprocessing and multivariate analysis of Raman spectroscopy data

Authors: Eleftherios Pavlou Nikolaos Kourkoumelis

Source: The Analyst. 150:3112-3122

rhodent: A python package for analyzing real-time TDDFT response

Authors: Fojt, Jakub Rossi, T. P. Erhart, Paul

Source: Plasmon-exciton coupling at the attosecond-subnanometer scale: Tailoring strong light-matter interactions at room temperature Fasbeteende och elektroniska egenskaper hos halogenid-perovskiter från simulering på atomskala Computer Physics Communications Data for "rhodent: A Python package for analyzing real-time TDDFT response". 322

Subject Terms: Time-dependent density functional theory, Plasmon, Hot carrier, Nanoparticle

File Description: electronic

Access URL: https://research.chalmers.se/publication/550897
https://research.chalmers.se/publication/550897/file/550897_Fulltext.pdf

mspacman: A modular python package for three-dimensional (3D) partial volume corrected particle characterization using X-ray computed tomography

Authors: Shuvam Gupta

Source: SoftwareX, Vol 31, Iss , Pp 102344- (2025)

Subject Terms: Particle characterization, 3D analyses, Open-source software, CT, Computer software, QA76.75-76.765

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352711025003103; https://doaj.org/toc/2352-7110

Access URL: https://doaj.org/article/f7595e49e64d4404a30dda6c562332fc

DomainLab: A modular Python package for domain generalization in deep learning

Authors: Sun, Xudong Feistner, Carla Gossmann, Alexej et al.

Index Terms: Computer Science - Machine Learning, Computer Science - Software Engineering, text

URL: http://arxiv.org/abs/2403.14356

FoamQuant: a Python package for time-resolved 3D image quantification of cellular materials

Authors: Schott, Florian Dollet, Benjamin Santucci, Stéphane et al.

Contributors: Schott, Florian Dollet, Benjamin Santucci, Stéphane et al.

Source: Journal of Synchrotron Radiation. 32(Pt 5):1370-1377

Subject Terms: Natural Sciences, Chemical Sciences, Physical Chemistry (including Surface- and Colloid Chemistry), Naturvetenskap, Kemi, Fysikalisk kemi (Här ingår: Yt- och kolloidkemi)

Access URL: https://doi.org/10.1107/S1600577525006629

SynthATDelays : A Minimalist Python Package for the Generation of Synthetic Air Transport Delay Data.

Authors: Büth, Carlson Moses Zanin, Massimiliano

Source: Aerospace (MDPI Publishing); Oct2025, Vol. 12 Issue 10, p900, 14p

Subject Terms: PYTHON programming language, MODULAR design, CAUSAL inference

atomSmltr: a modular Python package to simulate laser cooling setups

Authors: Weill, Mateo Bertoldi, Andrea Dareau, Alexandre

Subject Terms: Atomic Physics, Quantum Gases

Relation: http://arxiv.org/abs/2511.20596

Availability: http://arxiv.org/abs/2511.20596

FluidSim: Modular, Object-Oriented Python Package for High-Performance CFD Simulations

Authors: Mohanan, Ashwin Vishnu Bonamy, Cyrille Linares, Miguel Calpe et al.

Source: FluidDyn project Journal of Open Research Software. 7(1)

Subject Terms: fluid dynamics, Python, FFT, simulations, SRA - E-vetenskap (SeRC), SRA - E-Science (SeRC), Fysik, Physics

File Description: print

Access URL: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-255120

QuPepFold: A python package for hybrid quantum-classical protein folding simulations with CVaR-optimized VQE.

Authors: Uttarkar A Niranjan V Saxena A et al.

Source: PloS one [PLoS One] 2026 Feb 11; Vol. 21 (2), pp. e0342012. Date of Electronic Publication: 2026 Feb 11 (Print Publication: 2026).

Publication Type: Journal Article

Journal Info: Publisher: Public Library of Science Country of Publication: United States NLM ID: 101285081 Publication Model: eCollection Cited Medium: Internet ISSN: 1932-6203 (Electronic) Linking ISSN: 19326203 NLM ISO Abbreviation: PLoS One Subsets: MEDLINE

MeSH Terms: Protein Folding* , Software*, Peptides/chemistry ; Intrinsically Disordered Proteins/chemistry ; Quantum Theory ; Algorithms ; Protein Conformation

CatalightAn Open-Source Automated Photocatalytic Reactor Package Illustrated through Plasmonic Acetylene Hydrogenation

Authors: B. B. Bourgeois A. X. Dai C. C. Carlin et al.

Subject Terms: Biotechnology, Information Systems not elsewhere classified, simple python script, reaction rate order, multiday experiment controlled, molecular surface coverage, modular python package, industrially relevant reaction, identify systematic sources, gas flow rate, complicated parameter space, plasmonic aupd catalyst, 3 , 2 , catalight orchestrates measurements, plasmonic acetylene hydrogenation, plasmonic reactions, catalysis measurements, acetylene hydrogenation, systematically stores, spectral profile, previous findings, photocatalytic mechanism, induced heating, illumination power, hot electron, findings highlight, evaluate performance, driven mechanism, catalight 

Availability: https://doi.org/10.1021/acs.jpca.5c02883.s001
https://figshare.com/articles/journal_contribution/Catalight_An_Open-Source_Automated_Photocatalytic_Reactor_Package_Illustrated_through_Plasmonic_Acetylene_Hydrogenation/29435619

GPAW: An open Python package for electronic structure calculations

Authors: Mortensen, Jens Jorgen Larsen, Ask Hjorth Kuisma, Mikael et al.

Source: Strong-Coupling for Optimal Plasmon-Catalysis Journal of Chemical Physics. 160(9)

File Description: electronic

Access URL: https://research.chalmers.se/publication/540751
https://research.chalmers.se/publication/540751/file/540751_Fulltext.pdf

pyMKM: An Open-Source Python Package for Microdosimetric Kinetic Model Calculation in Research and Clinical Applications.

Authors: Magro, Giuseppe Pavanello, Vittoria Jia, Yihan et al.

Source: Computation; Nov2025, Vol. 13 Issue 11, p264, 21p

Subject Terms: MICRODOSIMETRY, RADIATION dosimetry, COMPUTER simulation, PYTHON programming language, OPEN source software, PHYSIOLOGICAL effects of radiation

pymodconn: A python package for developing modular sequence-to-sequence control-oriented deep neural networks

Authors: Chaudhary, Gaurav Johra, Hicham Georges, Laurent Francis Ghislain et al.

Availability: https://hdl.handle.net/11250/3113335

PyPhase - A Python package for X-ray phase imaging

Authors: Langer, Max Zhang, Yuhe Figueirinhas, Diogo et al.

Contributors: Langer, Max Zhang, Yuhe Figueirinhas, Diogo et al.

Source: Journal of Synchrotron Radiation. 28:1261-1266

Subject Terms: Natural Sciences, Mathematical Sciences, Probability Theory and Statistics, Naturvetenskap, Matematik, Sannolikhetsteori och statistik

Access URL: https://doi.org/10.1107/S1600577521004951

ProPythia: A Python package for protein classification based on machine and deep learning

Authors: Sequeira, Ana Lousa, Diana Rocha, Miguel et al.

Contributors: Sequeira, Ana Lousa, Diana Rocha, Miguel et al.

Source: Neurocomputing. 484:172-182

Subject Terms: 0301 basic medicine, 0303 health sciences, 03 medical and health sciences, Enzyme, Protein, Machine learning, peptide classification, Deep learning, Python package, Antimicrobial peptide, Protein/ peptide classification

File Description: application/pdf

Access URL: https://hdl.handle.net/1822/76505

DiNetxify—a Python package for three‑dimensional disease network analysis based on electronic health record data

Authors: Hou, C Liu, H Ahlqvist, V et al.

Source: Research Square.

Access URL: http://kipublications.ki.se/Default.aspx?queryparsed=id:

Efficient Git Repository Analysis: A Modular Plugin Approach.

Authors: Costa, Andre´ Mateus-Coelho, Nuno Cruz-Cunha, Manuela

Source: Procedia Computer Science. 2025, Vol. 263, p309-317. 9p.

Subject Terms: Modular design, Software engineering, Software versioning, Python programming language, Data analytics, Plug-ins (Computer programs), Applied sciences

rhodent: A Python package for analyzing real-time TDDFT response

Authors: Fojt, Jakub Rossi, Tuomas P. Erhart, Paul

Subject Terms: Chemical Physics (physics.chem-ph), Computational Physics, Chemical Physics, Mesoscale and Nanoscale Physics, Materials Science, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Computational Physics (physics.comp-ph)

Access URL: http://arxiv.org/abs/2509.00459

Modular Programming with Python : Introducing Modular Techniques for Building Sophisticated Programs Using Python

Authors: Erik Westra

Resource Type: eBook.

Subjects: Python (Computer program language), Computer programming

Categories: COMPUTERS / Languages / Python, COMPUTERS / Software Development & Engineering / General, COMPUTERS / Software Development & Engineering / Systems Analysis & Design

SynthATDelays: A Minimalist Python Package for the Generation of Synthetic Air Transport Delay Data

Authors: Carlson Moses Büth Massimiliano Zanin

Source: Aerospace. 12:900