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We present the first public release (v0.1) of the open-source GADGET Dataframe Library: gadfly. The aim of this package is to leverage the capabilities of the broader python scientific computing ecosystem by providing tools for analyzing…

The integration of command-line tools into the Galaxy platform is crucial for making complex computational methods accessible to a broader audience and ensuring reproducible research. However, the manual development of tool wrappers is a…

Medical image processing demands specialized software that handles high-dimensional volumetric data, heterogeneous file formats, and domain-specific training procedures. Existing frameworks either provide low-level components that require…

In resent years, the software ecosystem for numerical simulation still remains fragmented, with different algorithms and discretization methods often implemented in isolation, each with distinct data structures and programming conventions.…

WebAssembly is the new low-level language for the web and has now been implemented in all major browsers since over a year. To ensure the security, performance, and correctness of future web applications, there is a strong need for dynamic…

We present FANTASY (Finally A Numerical Trajectory Algorithm both Straightforward and sYmplectic), a user-friendly, open-source symplectic geodesic integrator written in Python. FANTASY is designed to work "out-of-the-box" and does not…

We introduce hyppo, a unified library for performing multivariate hypothesis testing, including independence, two-sample, and k-sample testing. While many multivariate independence tests have R packages available, the interfaces are…

We present a new software pipeline -- PyMorph -- for automated estimation of structural parameters of galaxies. Both parametric fits through a two dimensional bulge disk decomposition as well as structural parameter measurements like…

The emergence of data-driven computational materials science offers unprecedented opportunities to explore complex material landscapes, complementing experimental research with the discovery of novel compounds. To enable these developments,…

The usage of the high-level scripting language Python has enabled new mechanisms for data interrogation, discovery and visualization of scientific data. We present yt, an open source, community-developed astrophysical analysis and…

The library scikit-fda is a Python package for Functional Data Analysis (FDA). It provides a comprehensive set of tools for representation, preprocessing, and exploratory analysis of functional data. The library is built upon and integrated…

Density Functional Theory (DFT) is widely used for first-principles simulations in chemistry and materials science, but its computational cost remains a key limitation for large systems. Motivated by recent advances in ML-based…

Parameterization of interatomic forcefields is a necessary first step in performing molecular dynamics simulations. This is a non-trivial global optimization problem involving quantification of multiple empirical variables against one or…

Computational physics problems often have a common set of aspects to them that any particular numerical code will have to address. Because these aspects are common to many problems, having a framework already designed and ready to use will…

This paper introduces mFST, a new Python library for working with Finite-State Machines based on OpenFST. mFST is a thin wrapper for OpenFST and exposes all of OpenFST's methods for manipulating FSTs. Additionally, mFST is the only Python…

SciPy is an open source scientific computing library for the Python programming language. SciPy 1.0 was released in late 2017, about 16 years after the original version 0.1 release. SciPy has become a de facto standard for leveraging…

Python is widely used in the open-source community, largely owing to the extensive support from diverse third-party libraries within the PyPI ecosystem. Nevertheless, the utilization of third-party libraries can potentially lead to…

This paper describes the design and implementation of Stingray, a library in Python built to perform time series analysis and related tasks on astronomical light curves. Its core functionality comprises a range of Fourier analysis…

SpectraPy is an Astropy affiliated package for spectroscopic data reduction. It collects algorithms and methods for data reduction of astronomical spectra obtained by through-slits spectrographs. It has been created to fill the gap in…

Recent surge in Large Language Model (LLM) availability has opened exciting avenues for research. However, efficiently interacting with these models presents a significant hurdle since LLMs often reside on proprietary or self-hosted API…