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The use of Python is noticeably growing among the scientific community, and Astronomy is not an exception. The power of Python consists of being an extremely versatile high-level language, easy to program that combines both traditional…

Large Language Models (LLMs) have become a popular choice for many Natural Language Processing (NLP) tasks due to their versatility and ability to produce high-quality results. Specifically, they are increasingly used for automatic code…

Test case generation (TCG) for Python poses distinctive challenges due to the language's dynamic nature and the absence of strict type information. Previous research has successfully explored automated unit TCG for Python, with solutions…

Existing Python libraries and tools lack the ability to efficiently compute statistical test results for large datasets in the presence of missing values. This presents an issue as soon as constraints on runtime and memory availability…

We present PyXtal, a new package based on the Python programming language, used to generate structures with specific symmetry and chemical compositions for both atomic and molecular systems. This soft ware provides support for various…

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…

Automated documentation of programming source code and automated code generation from natural language are challenging tasks of both practical and scientific interest. Progress in these areas has been limited by the low availability of…

To execute scientific computing programs such as deep learning at high speed, GPU acceleration is a powerful option. With the recent advancements in web technologies, interfaces like WebGL and WebGPU, which utilize GPUs on the client side…

Trajectory data represent a trace of an object that changes its position in space over time. This kind of data is complex to handle and analyze, since it is generally produced in huge quantities, often prone to errors generated by the…

Online data streams make training machine learning models hard because of distribution shift and new patterns emerging over time. For natural language processing (NLP) tasks that utilize a collection of features based on lexicons and rules,…

Direct Numerical Simulations (DNS) of the Navier Stokes equations is a valuable research tool in fluid dynamics, but there are very few publicly available codes and, due to heavy number crunching, codes are usually written in low-level…

The representation of units and dimensions in informatics systems is barely codified and often ignored. For instance, the major languages used in scientific computing (Fortran, C and Python), have no type for dimension or unit, and so…

This paper presents \textsc{hankel}, a pure-python code for solving Hankel-type integrals and transforms. Such transforms are common in the physical sciences, especially appearing as the radial solution to angularly symmetric Fourier…

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…

Large Language Models (LLMs) have advanced rapidly as tools for automating code generation in scientific research, yet their ability to interpret and use unfamiliar Python APIs for complex computational experiments remains poorly…

In the realm of scientific computing, both Julia and Python have established themselves as powerful tools. Within the context of High Energy Physics (HEP) data analysis, Python has been traditionally favored, yet there exists a compelling…

Modern computing workloads commonly involve matrix-matrix multiplication (mmul) as a core computing pattern. Coarse-Grained Reconfigurable Arrays (CGRAs) can flexibly and efficiently support it, since they combine operation-level…

Zernike polynomials serve as an orthogonal basis on the unit disc, and have proven to be effective in optics simulations, astrophysics, and more recently in plasma simulations. Unlike Bessel functions, Zernike polynomials are inherently…

Software that processes real-world data or that models a physical system must have some way of managing units. While simple approaches like the understood convention that all data are in a unit system (such as the MKS SI unit system) do…

This paper presents a lightweight, open-source and high-performance python package for solving peridynamics problems in solid mechanics. The development of this solver is motivated by the need for fast analysis tools to achieve the large…