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pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…

Instrumentation and Methods for Astrophysics · Physics 2022-06-01 Adam Ginsburg , Vlas Sokolov , Miguel de Val-Borro , Erik Rosolowsky , Jaime E. Pineda , Brigitta M. Sipőcz , Jonathan D. Henshaw

We introduce FDApy, an open-source Python package for the analysis of functional data. The package provides tools for the representation of (multivariate) functional data defined on different dimensional domains and for functional data that…

Mathematical Software · Computer Science 2025-03-10 Steven Golovkine

The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…

Computational Physics · Physics 2025-03-18 Patrick Müller , Wilfried Nörtershäuser

We present Fiend - a simulation package for three-dimensional single-particle time-dependent Schr\"odinger equation for cylindrically symmetric systems. Fiend has been designed for the simulation of electron dynamics under inhomogeneus…

Computational Physics · Physics 2019-04-09 Janne Solanpää , Esa Räsänen

In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-26 Uldis Locans , Andreas Adelmann , Andreas Suter , Jannis Fischer , Werner Lustermann , Gunther Dissertori , Qiulin Wang

Feature extraction is a critical component of many applied data science workflows. In recent years, rapid advances in artificial intelligence and machine learning have led to an explosion of feature extraction tools and services that allow…

Computer Vision and Pattern Recognition · Computer Science 2017-02-22 Quinten McNamara , Alejandro de la Vega , Tal Yarkoni

We present GLEAM (Galaxy Line Emission & Absorption Modeling), a Python tool for fitting Gaussian models to emission and absorption lines in large samples of 1D extragalactic spectra. GLEAM is tailored to work well in batch mode without…

Instrumentation and Methods for Astrophysics · Physics 2021-03-08 Andra Stroe , Victor-Nicolae Savu

Robust local feature representations are essential for spatial intelligence tasks such as robot navigation and augmented reality. Establishing reliable correspondences requires descriptors that provide both high discriminative power and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-15 Haodi Yao , Fenghua He , Ning Hao , Yao Su

In the era of large time-domain spectro-photometric surveys, surface variations such as starspots, chemical inhomogeneities, pulsations, rotational distortions, and binary interactions can now be directly detected and modelled. Accurately…

Solar and Stellar Astrophysics · Physics 2025-11-17 M. Jabłońska , T. Różański , L. Casagrande , H. Shah , P. A. Kołaczek-Szymański , M. Rychlicki , Yuan-Sen Ting

Motivation: Parameter estimation is a cornerstone of data-driven modeling in systems biology. Yet, constructing such problems in a reproducible and accessible manner remains challenging. The PEtab format has established itself as a powerful…

Quantitative Methods · Quantitative Biology 2025-11-17 Paul Jonas Jost , Frank T Bergmann , Daniel Weindl , Jan Hasenauer

Entity alignment has always had significant uses within a multitude of diverse scientific fields. In particular, the concept of matching entities across networks has grown in significance in the world of social science as communicative…

Social and Information Networks · Computer Science 2020-04-21 James Flamino , Christopher Abriola , Ben Zimmerman , Zhongheng Li , Joel Douglas

Machine learning potential-driven molecular dynamics (MD) simulations have significantly enhanced the predictive accuracy of thermal transport properties across diverse materials. However, extracting phonon-mode-resolved insights from these…

Computational Physics · Physics 2025-09-18 Ting Liang , Wenwu Jiang , Ke Xu , Hekai Bu , Zheyong Fan , Wengen Ouyang , Jianbin Xu

The increasing complexity and volume of data generated by high-throughput computational materials science require robust tools to ensure their accessibility, reproducibility, and reuse. In particular, integrating the FAIR Guiding Principles…

Materials Science · Physics 2025-10-28 Lucrezia Berghenti , Elisa Damiani , Margherita Marsili , Maria Clelia Righi

Large models represent a groundbreaking advancement in multiple application fields, enabling remarkable achievements across various tasks. However, their unprecedented scale comes with significant computational costs. These models, often…

Machine Learning · Computer Science 2024-09-17 Zeyu Han , Chao Gao , Jinyang Liu , Jeff Zhang , Sai Qian Zhang

Unfolding, in the context of high-energy particle physics, refers to the process of removing detector distortions in experimental data. The resulting unfolded measurements are straightforward to use for direct comparisons between…

In this paper we describe the main features of the software package named FITSH, intended to provide a standalone environment for analysis of data acquired by imaging astronomical detectors. The package provides utilities both for the full…

Instrumentation and Methods for Astrophysics · Physics 2015-06-03 András Pál

Statistical modeling is a key element in many scientific fields and especially in High-Energy Physics (HEP) analysis. The standard framework to perform this task in HEP is the C++ ROOT/RooFit toolkit; with Python bindings that are only…

Data Analysis, Statistics and Probability · Physics 2020-05-21 Jonas Eschle , Albert Puig Navarro , Rafael Silva Coutinho , Nicola Serra

We present an improved version of FIT3D, a fitting tool for the analysis of the spectroscopic properties of the stellar populations and the ionized gas derived from moderate resolution spectra of galaxies. FIT3D is a tool developed to…

Function fitting/approximation plays a fundamental role in computer graphics and other engineering applications. While recent advances have explored neural networks to address this task, these methods often rely on architectures with many…

Graphics · Computer Science 2025-05-28 Biao Zhang , Peter Wonka

In this paper, we present a nonlinear analysis software toolkit, which can help in biomechanical gait data analysis by implementing various nonlinear statistical analysis algorithms. The toolkit is proposed to tackle the need for an…

Emerging Technologies · Computer Science 2023-11-14 Shifat Sarwar , Aaron Likens , Nick Stergiou , Spyridon Mastorakis