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Mutation testing is an effective technique for assessing the effectiveness of test suites by systematically injecting artificial faults into programs. However, existing mutation testing techniques fall short in capturing many types of…

Background and Objective: Deep learning enables tremendous progress in medical image analysis. One driving force of this progress are open-source frameworks like TensorFlow and PyTorch. However, these frameworks rarely address issues…

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…

Our goal in this dissertation is to provide tools, programming models, and system support for PIM architectures (with a focus on DRAM-based solutions), to ease the adoption of PIM in current and future systems. To this end, we make at least…

Multi-modal retrieval has seen tremendous progress with the development of vision-language models. However, further improving these models require additional labelled data which is a huge manual effort. In this paper, we propose a framework…

The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating 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…

Python has become the prime language for application development in the Data Science and Machine Learning domains. However, data scientists are not necessarily experienced programmers. While Python lets them quickly implement their…

High-fidelity computational fluid dynamics (CFD) is widely used for thermal-fluid design, but repeated CFD solves remain expensive for design optimization, uncertainty analysis, and digital-twin workflows. Recently, our team has…

Graphical Processing Units (GPUs) have recently become a valuable computing tool for the acquisition of data at high rates and for a relatively low cost. The devices work by parallelizing the code into thousands of threads, each executing a…

We review design and development decisions and their impact for the open source code Nmag from a software engineering in computational science point of view. We summarise lessons learned and recommendations for future computational science…

Computational materials science produces large quantities of data, both in terms of high-throughput calculations and individual studies. Extracting knowledge from this large and heterogeneous pool of data is challenging due to the wide…

Current research efforts in aeroelasticity aim at including higher fidelity aerodynamic results into the simulation frameworks. In the present effort, the Python--based Fluid--Structure Interaction framework of the well known SU2 code has…

Literate programming - the bringing together of program code and natural language narratives - has become a ubiquitous approach in the realm of data science. This methodology is appealing as well for the domain of Density Functional Theory…

Scientific research metadata is vital to ensure the validity, reusability, and cost-effectiveness of research efforts. The MEDFORD metadata language was previously introduced to simplify the process of writing and maintaining metadata for…

Python is widely adopted across various domains, especially in Machine Learning (ML) and traditional software projects. Despite its versatility, Python is susceptible to performance smells, i.e., suboptimal coding practices that can reduce…

We create a Python GUI scripting interface working under Windows in addition to (UNIX/Linux). The GUI has been built around the Python open-source programming language. We use the Python's GUI library that so called Python Mega Widgets…

At its core, feather was a tool that allowed model developers to build shareable user interfaces for their models in under 20 lines of code. Using the Python SDK, developers specified visual components that users would interact with. (e.g.…

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…

The Python package fluidsim is introduced in this article as an extensible framework for Computational Fluid Mechanics (CFD) solvers. It is developed as a part of FluidDyn project (Augier et al., 2018), an effort to promote open-source and…