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Writing complex computer programs to study scientific problems requires careful planning and an in-depth knowledge of programming languages and tools. In this chapter the importance of using the right tool for the right problem is…
Pyrit is a field simulation software based on the finite element method written in Python to solve coupled systems of partial differential equations. It is designed as a modular software that is easily modifiable and extendable. The…
This paper presents Tyche, a Python library to facilitate probabilistic reasoning in uncertain worlds through the construction, querying, and learning of belief models. Tyche uses aleatoric description logic (ADL), which provides…
Scientific software is one of the key elements for reproducible research. However, classic publications and related scientific software are typically not (sufficiently) linked, and it lacks tools to jointly explore these artefacts. In this…
Molecular dynamics simulations play an increasingly important role in the rational design of (nano)-materials and in the study of biomacromolecules. However, generating input files and realistic starting coordinates for these simulations is…
Dynamically typed languages such as Python have become very popular. Among other strengths, Python's dynamic nature and its straightforward linking to native code have made it the de-facto language for many research areas such as Artificial…
I present version 5.0 of FRELLED, the FITS Realtime Explorer of Low Latency in Every Dimension. This is a 3D data visualisation package for the popular Blender art software, designed to allow inspection of astronomical volumetric data sets…
Creating and maintaining computer readable geometries for use in Monte Carlo Radiation Transport (MCRT) simulations is an error-prone and time-consuming task. Simulating a system often requires geometry from different sources and modelling…
Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…
Numerical relativity simulations are crucial for studying black holes and have been instrumental in the detection of gravitational waves by the LVK. However, these simulations produce vast amounts of data that must be processed in order to…
Common analysis techniques in multi-messenger astronomy involve hypothesis tests with unbinned log-likelihood (LLH) functions using data recorded in celestial coordinates to identify sources of high-energy cosmic particles in the Universe.…
Using realistic laser profiles for simulations of laser-plasma interaction is critical to reproduce experimental measurements, but the interface between experiments and simulations can be challenging. Similarly, start-to-end simulations…
Spreadsheets are widely used in various fields to do large numerical analysis. While several companies have relied on spreadsheets for decades, data scientists are going in the direction of using scientific programming languages such as…
PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…
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…
This work addresses the challenge of analyzing geometric structures using Kendall's 3D Shape Space. While Riemannian geometry provides a robust framework for shape analysis (independent of scale, position, and orientation) the transition…
Python Library for simulating unManNed vehiclEs(PLANE) is an open source software module, written in Python, that focuses on Unmanned Aerial Vehicles (UAVs), on their movements and on the mechanics of flight, thus devoting particular…
Understanding how galaxies form and evolve requires measuring their light distributions in images taken by telescopes. This process often involves fitting mathematical models to galaxy images to extract properties such as size, brightness,…
The purpose of this paper is to show how existing scientific software can be parallelized using a separate thin layer of Python code where all parallel communication is implemented. We provide specific examples on such layers of code, and…
In recent years, numerical simulations have become indispensable for addressing complex astrophysical problems. The MagnetoHydroDynamics (MHD) framework represents a key tool for investigating the dynamical evolution of astrophysical…