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We describe how Python can be leveraged to streamline the curation, modelling and dissemination of drug discovery data as well as the development of innovative, freely available tools for the related scientific community. We look at various…

Other Computer Science · Computer Science 2016-07-05 Michał Nowotka , George Papadatos , Mark Davies , Nathan Dedman , Anne Hersey

GEANT4 is a particle physics simulation tool used to develop and optimize radiation detectors. While C++ based examples exist, Python's growing popularity necessitates the development of a more accessible Python bindings interface. This…

High Energy Physics - Experiment · Physics 2024-12-10 Patrick Stowell , Robert Foster , Almahdi Elhamri

We present a novel Python tool for the analysis of Geant4 simulations that enhances our understanding of coherent phenomena occurring during the interaction of charged particles with crystal planes. This tool compares the total energy of…

HIPSTER (Heavily Ionising Particle Standard Toolkit for Event Recognition) is an open source Python package designed to facilitate the use of TensorFlow in a high energy physics analysis context. The core functionality of the software is…

High Energy Physics - Experiment · Physics 2019-09-18 Adrian Bevan , Thomas Charman , Jonathan Hays

We introduce SeismoStats, a Python package that enables essential statistical seismology analyses, with a focus on well-established methods. The package provides user-friendly tools to download and manipulate earthquake catalogs, but also…

The aim of this paper is to give a presentation of the Python toolbox YALTAPy dedicated to the stability study of standard and fractional delay systems as well as its online version YALTAPy_Online. Both toolboxes are derived from YALTA…

Optimization and Control · Mathematics 2022-12-13 Hugo Cavalera , Jayvir Raj , Guilherme Mazanti , Catherine Bonnet

Python is a popular high-level general-purpose programming language also heavily used by the scientific community. It supports a variety of different programming paradigms and is preferred by many for its ease of use. With the vision of…

Programming Languages · Computer Science 2021-09-08 Maximilian A. Köhl

High-Content Digital Microscopy enhances user comfort, data storage and analysis throughput, paving the way to new researches and medical diagnostics. A digital microscopy platform aims at capturing an image of a cover slip, at storing…

Computational Engineering, Finance, and Science · Computer Science 2014-04-30 Fabrice Salvaire

The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…

Instrumentation and Methods for Astrophysics · Physics 2025-12-23 Daniele Gasparri , Lorenzo Morelli , Umberto Battino , Jairo Méndez Abreu , Adriana de Lorenzo-Cáceres

An open source software package for performing dynamic RMS simulation of small to medium-sized power systems is presented, written entirely in the Python programming language. The main objective is to facilitate fast prototyping of new wide…

Systems and Control · Electrical Eng. & Systems 2021-01-11 Hallvar Haugdal , Kjetil Uhlen

The exponential growth of data in Astrophysics and Cosmology demands scalable computational tools and intuitive interfaces for analysis and visualization. In this work, we present an innovative integration of the VisIVO scientific…

Instrumentation and Methods for Astrophysics · Physics 2025-10-07 Eva Sciacca , Nicola Tuccari , Umer Arshad , Fabio Pitari , Giuseppa Muscianisi , Emiliano Tramontana

For over a decade, the SpacePy project has contributed open-source solutions for the production and analysis of heliophysics data and simulation results. Here we introduce SpacePy's functionality for the scientific user and present relevant…

Space Physics · Physics 2022-10-11 Jonathan T. Niehof , Steven K. Morley , Daniel T. Welling , Brian A. Larsen

The ability to understand how a scientific application is executed on a large HPC system is of great importance in allocating resources within the HPC data center. In this paper, we describe how we used system performance data to identify:…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-15 David Brayford , Christoph Bernau , Wolfram Hesse , Carla Guillen

PINT is a pure-Python framework for high-precision pulsar timing developed on top of widely used and well-tested Python libraries, supporting both interactive and programmatic data analysis workflows. We present a new frequentist framework…

Since Lorenz's seminal work on a simplified weather model, the numerical analysis of nonlinear dynamical systems has become one of the main subjects of research in physics. Despite of that, there remains a need for accessible, efficient,…

Developing an efficient code for large, multiscale astrophysical simulations is crucial in preparing the upcoming era of exascale computing. RAMSES is an astrophysical simulation code that employs parallel processing based on the Message…

Instrumentation and Methods for Astrophysics · Physics 2024-11-25 San Han , Yohan Dubois , Jaehyun Lee , Juhan Kim , Corentin Cadiou , Sukyoung K. Yi

We argue that the Julia programming language is a compelling alternative to implementations in Python and C++ for common data analysis workflows in high energy physics. We compare the speed of implementations of different workflows in Julia…

Computational Physics · Physics 2021-04-13 Marcel Stanitzki , Jan Strube

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…

Instrumentation and Methods for Astrophysics · Physics 2025-09-18 Giancarlo Mattia , Daniele Crocco , David Melon Fuksman , Matteo Bugli , Vittoria Berta , Eleonora Puzzoni , Andrea Mignone , Bhargav Vaidya

The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…

Chemical Physics · Physics 2025-06-10 Zhichen Pu , Qiming Sun

Meta-analysis is a data aggregation method that establishes an overall and objective level of evidence based on the results of several studies. It is necessary to maintain a high level of homogeneity in the aggregation of data collected…

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