Related papers: The Scikit HEP Project -- overview and prospects

World-wide collaboration in high-energy physics (HEP) is a tradition which dates back several decades, with scientific publications mostly coauthored by scientists from different countries. This coauthorship phenomenon makes it difficult to…

We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio…

As a powerful tool of asynchronous event sequence analysis, point processes have been studied for a long time and achieved numerous successes in different fields. Among various point process models, Hawkes process and its variants attract…

Selecting third-party software packages in open-source ecosystems like Python is challenging due to the large number of alternatives and limited transparent evidence for comparison. Generative AI tools are increasingly used in development…

Behavioral studies using personal digital devices typically produce rich longitudinal datasets of mixed data types. These data provide information about the behavior of users of these devices in real-time and in the users' natural…

In the domain of high-energy physics (HEP), query languages in general and SQL in particular have found limited acceptance. This is surprising since HEP data analysis matches the SQL model well: the data is fully structured and queried…

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…

Data from high-energy physics (HEP) experiments are collected with significant financial and human effort and are mostly unique. At the same time, HEP has no coherent strategy for data preservation and re-use. An inter-experimental Study…

The CompHEP package was developed for calculations of decay and high energy collision processes with, correspondingly, up to 5 and 4 final particles in the lowest order (tree) approximation. The main idea put into CompHEP was to make…

SpartyJet is a set of software tools for jet finding and analysis, built around the FastJet library of jet algorithms. SpartyJet provides four key extensions to FastJet: a simple Python interface to most FastJet features, a powerful…

The HBT-Analyzer is an universal tool for particle correlations analysis under the ROOT environment. It provides an efficient mixing mechanism, a wide range of correlation and monitoring functions, and a set of cuts that are applicable on…

Helix is an open-source, extensible, Python-based software framework to facilitate reproducible and interpretable machine learning workflows for tabular data. It addresses the growing need for transparent experimental data analytics…

The rapid evolution of technology and the parallel increasing complexity of algorithmic analysis in HEP requires developers to acquire a much larger portfolio of programming skills. Young researchers graduating from universities worldwide…

We describe the Einstein Toolkit, a community-driven, freely accessible computational infrastructure intended for use in numerical relativity, relativistic astrophysics, and other applications. The Toolkit, developed by a collaboration…

Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced sampling methods and techniques that permit calculation of…

Natural microbial communities contain hundreds to thousands of interacting species. For this reason, computational simulations are playing an increasingly important role in microbial ecology. In this manuscript, we present a new…

The Python robotics ecosystem faces a challenge: while many libraries exist for rigid body transformations, few are both lightweight and mathematically strict. This paper introduces SE3Kit, a lightweight Python library efficient operations…

New facilities of the 2020s, such as the High Luminosity Large Hadron Collider (HL-LHC), will be relevant through at least the 2030s. This means that their software efforts and those that are used to analyze their data need to consider…

Julia is a mature general-purpose programming language, with a large ecosystem of libraries and more than 12000 third-party packages, which specifically targets scientific computing. As a language, Julia is as dynamic, interactive, and…

PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…