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Any cutting-edge scientific research project requires a myriad of computational tools for data generation, management, analysis and visualization. Python is a flexible and extensible scientific programming platform that offered the perfect…

Quantitative Methods · Quantitative Biology 2008-03-14 Julius B. Lucks

This paper introduces the practicalities and benefits of using SimPy, a discrete event simulation (DES) module written in Python, for modeling and simulating complex systems. Through a step-by-step exploration of the classical Dining…

Mathematical Software · Computer Science 2024-05-06 Dmitry Zinoviev

PaPy, which stands for parallel pipelines in Python, is a highly flexible framework that enables the construction of robust, scalable workflows for either generating or processing voluminous datasets. A workflow is created from user-written…

Programming Languages · Computer Science 2014-07-17 Marcin Cieslik , Cameron Mura

The Scikit-HEP project is a community-driven and community-oriented effort with the aim of providing Particle Physics at large with a Python scientific toolset containing core and common tools. The project builds on five pillars that…

Computational Physics · Physics 2019-10-02 Eduardo Rodrigues

Machine learning has proved to be a useful tool for extracting knowledge from scientific data in numerous research fields, including astrophysics, genomics, and molecular dynamics. Often, data sets from these research areas need to be…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-04-21 Javier Álvarez Cid-Fuentes , Pol Álvarez , Salvi Solà , Kuninori Ishii , Rafael K. Morizawa , Rosa M. Badia

DESP-C++ is a C++ discrete-event random simulation engine that has been designed to be fast, very easy to use and expand, and valid. DESP-C++ is based on the resource view. Its complete architecture is presented in detail, as well as a…

Databases · Computer Science 2016-11-29 Jérôme Darmont

In recent years, the research community, but also the general public, has raised serious questions about the reproducibility and replicability of scientific work. Since many studies include some kind of computational work, these issues are…

Software Engineering · Computer Science 2025-03-14 Lázaro Costa , Susana Barbosa , Jácome Cunha

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

This paper introduces \texttt{infotheory}: a package written in C++ and usable from Python and C++, for multivariate information theoretic analyses of discrete and continuous data. This package allows the user to study the relationship…

Information Theory · Computer Science 2021-06-11 Madhavun Candadai , Eduardo J. Izquierdo

Over the past few decades, neuroscience experiments have become increasingly complex and naturalistic. Experimental design has in turn become more challenging, as experiments must conform to an ever-increasing diversity of design…

Neurons and Cognition · Quantitative Biology 2020-12-07 Storm Slivkoff , Jack L. Gallant

This paper describes the Jas4pp framework for exploring physics cases and for detector-performance studies of future particle collision experiments. Jas4pp is a multi-platform Java program for numeric calculations, scientific visualization…

Computational Physics · Physics 2021-02-09 S. V. Chekanov , G. Gavalian , N. A. Graf

We present the description of the project \texttt{SCORPIO}, a Python package for retrieving images and associated data of galaxy pairs based on their position, facilitating visual analysis and data collation of multiple archetypal systems.…

Instrumentation and Methods for Astrophysics · Physics 2021-11-09 Jose A. Benavides , Martín Chalela , Juan B. Cabral , Bruno O. Sánchez , Sebastian Gurovich

Scientific Machine Learning (SciML) has advanced recently across many different areas in computational science and engineering. The objective is to integrate data and physics seamlessly without the need of employing elaborate and…

Machine Learning · Computer Science 2023-08-02 Varun Kumar , Leonard Gleyzer , Adar Kahana , Khemraj Shukla , George Em Karniadakis

The aim of this work is to define and implement an extended C++ language to support the SIMD programming paradigm. The C++ programming language has been extended to express all the potentiality of an abstract SIMD machine consisting of a…

Programming Languages · Computer Science 2007-05-23 Alessandro Lonardo , Emanuele Panizzi , Benedetto Proietti

In this work, we present scikit-fingerprints, a Python package for computation of molecular fingerprints for applications in chemoinformatics. Our library offers an industry-standard scikit-learn interface, allowing intuitive usage and easy…

Software Engineering · Computer Science 2025-08-12 Jakub Adamczyk , Piotr Ludynia

NIFTY, "Numerical Information Field Theory", is a software package designed to enable the development of signal inference algorithms that operate regardless of the underlying spatial grid and its resolution. Its object-oriented framework is…

Instrumentation and Methods for Astrophysics · Physics 2013-06-06 Marco Selig , Michael R. Bell , Henrik Junklewitz , Niels Oppermann , Martin Reinecke , Maksim Greiner , Carlos Pachajoa , Torsten A. Enßlin

In this paper we present DYNAMIC, an open-source C++ library implementing dynamic compressed data structures for string manipulation. Our framework includes useful tools such as searchable partial sums, succinct/gap-encoded bitvectors, and…

Data Structures and Algorithms · Computer Science 2017-01-26 Nicola Prezza

`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many…

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-04 Masatoshi Hidaka , Tatsuya Harada

All major weather and climate applications are currently developed using languages such as Fortran or C++. This is typical in the domain of high performance computing (HPC), where efficient execution is an important concern. Unfortunately,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-15 Enrique G. Paredes , Linus Groner , Stefano Ubbiali , Hannes Vogt , Alberto Madonna , Kean Mariotti , Felipe Cruz , Lucas Benedicic , Mauro Bianco , Joost VandeVondele , Thomas C. Schulthess