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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…

Chemical Physics · Physics 2021-06-23 Yixiao Chen , Linfeng Zhang , Han Wang , Weinan E

TextDescriptives is a Python package for calculating a large variety of metrics from text. It is built on top of spaCy and can be easily integrated into existing workflows. The package has already been used for analysing the linguistic…

Computation and Language · Computer Science 2023-10-30 Lasse Hansen , Ludvig Renbo Olsen , Kenneth Enevoldsen

We present the program package SUSY-HIT for the computation of supersymmetric particle decays within the framework of the Minimal Supersymmetric extension of the Standard Model. The code is based on two existing programs HDECAY and SDECAY…

High Energy Physics - Phenomenology · Physics 2011-04-11 A. Djouadi , M. M. Muhlleitner , M. Spira

Applications ranging from nuclear safeguards to dark matter detection require accurate predictions of neutron yields and energy spectra produced by ($\alpha$,n) reactions. Legacy tools like SOURCES-4C remain widely used despite significant…

Computational Physics · Physics 2026-05-22 Divit Rawal , Anthony J. Nelson , William Zywiec , Daniel Siefman

The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…

Process data refer to data recorded in the log files of computer-based items. These data, represented as timestamped action sequences, keep track of respondents' response processes of solving the items. Process data analysis aims at…

Computation · Statistics 2020-06-11 Xueying Tang , Susu Zhang , Zhi Wang , Jingchen Liu , Zhiliang Ying

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

Tunneling ionization is at the core of strong-field and attosecond science. In this paper, we present PyStructureFactor - a general Python code towards the calculation of the structure factor in the tunneling ionization rate of common…

Atomic Physics · Physics 2023-08-10 Shanshan Song , Mingyu Zhu , Hongcheng Ni , Jian Wu

The R arules package implements a comprehensive infrastructure for representing, manipulating, and analyzing transaction data and patterns using frequent itemsets and association rules. The package also provides a wide range of interest…

Databases · Computer Science 2023-05-25 Michael Hahsler

Decay energy spectrometry (DES) is a novel radiometric technique for high-precision analysis of nuclear materials. DES employs the unique thermal detection physics of cryogenic microcalorimeters with ultra-high energy resolution and 100$\%$…

We present a standalone implementation of a data-deconvolution method based on singular value decomposition. The tool is written in python and packaged in the open-source yonder package. yonder receives as input two matrices, one for the…

Instrumentation and Methods for Astrophysics · Physics 2022-05-30 Peng Chen , Rafael S. de Souza

We introduce a Python framework designed to automate the most common tasks associated with the extraction and upscaling of the statistics of single-impact crater functions to inform coefficients of continuum equations describing surface…

Computational Physics · Physics 2014-10-31 Scott A. Norris

The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…

Computational Physics · Physics 2021-05-31 Daniel Schick

In this work, we present RePlaChem, a software library for reducing detailed large-scale plasma chemical mechanisms to smaller skeletal ones. The library parses a plasma chemical mechanism in the well-established format compatible with the…

Computational Physics · Physics 2025-07-08 Z. Nikolaou , E. Morais , S. Van Rompaey , C. Anastassiou , A. Bogaerts , V. Vavourakis

It is shown, that the exponential decrease of the energy spectra of the fragments with growing its energy, which does not depend from the fragment type, targets, projectiles and projectile energies, and which sometimes accompanied slight…

Nuclear Theory · Physics 2019-02-13 S. A. Omelchenko , V. S. Olkhovsky

PetroFit is an open-source Python package, based on Astropy and Photutils, that can calculate Petrosian profiles and fit galaxy images. It offers end-to-end tools for making accurate photometric measurements, estimating morphological…

Instrumentation and Methods for Astrophysics · Physics 2022-04-19 Robel Geda , Steven Crawford , Lucas R. Hunt , Matthew A. Bershady , Erik J. Tollerud , Solohery M. Randriamampandry

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…

The nature of dark matter remains one of the key science questions. Weakly Interacting Massive Particles (WIMPs) are among the best motivated particle physics candidates, allowing to explain the measured dark matter density by employing…

High Energy Physics - Phenomenology · Physics 2018-08-27 Torsten Bringmann , Joakim Edsjo , Paolo Gondolo , Piero Ullio , Lars Bergstrom

BiFold calculates the density-dependent (DDM3Y$n$, BDM3Y$n$, CDM3Y$n$) or independent double folded potentials between two colliding spherical nuclei. It is written in a Python package form to give the ability to use the potentials directly…

Computational Physics · Physics 2022-12-05 Mesut Karakoç

While the radio detection of cosmic rays has advanced to a standard method in astroparticle physics, the radio detection of neutrinos is just about to start its full bloom. The successes of pilot-arrays have to be accompanied by the…