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The use of several open source scientific packages in the Schr\"odinger Materials Science Suite will be discussed. A typical workflow for materials discovery will be described, discussing how open source packages have been incorporated at…

Computational Physics · Physics 2025-10-28 Alexandr Fonari , Farshad Fallah , Michael Rauch

We present Cryptomite, a Python library of randomness extractor implementations. The library offers a range of two-source, seeded and deterministic randomness extractors, together with parameter calculation modules, making it easy to use…

Cryptography and Security · Computer Science 2025-11-27 Cameron Foreman , Richie Yeung , Alec Edgington , Florian J. Curchod

A reliable and user-friendly characterisation of nano-objects in a target material is presented here in the form of a software data analysis package for interpreting small-angle X-ray scattering (SAXS) patterns. When provided with data on…

Data Analysis, Statistics and Probability · Physics 2014-12-08 Ingo Breßler , Brian R. Pauw , Andreas Thünemann

The R software package rSPDE contains methods for approximating Gaussian random fields based on fractional-order stochastic partial differential equations (SPDEs). A common example of such fields are Whittle-Mat\'ern fields on bounded…

Computation · Statistics 2025-02-28 David Bolin , Alexandre B. Simas

Context: Experiment replications play a central role in the scientific method. Although software engineering experimentation has matured a great deal, the number of experiment replications is still relatively small. Software engineering…

Software Engineering · Computer Science 2024-02-13 Martín Solari , Sira Vegas , Natalia Juristo

A Maple package for computing Groebner bases of linear difference ideals is described. The underlying algorithm is based on Janet and Janet-like monomial divisions associated with finite difference operators. The package can be used, for…

Symbolic Computation · Computer Science 2009-11-11 Vladimir P. Gerdt , Daniel Robertz

I give in this lecture an overview of the features of the Mathematica package SARAH, and explain how it can be used together with other codes to study all aspects of a BSM model. The focus will be on the description of the analytical…

High Energy Physics - Phenomenology · Physics 2016-03-21 Florian Staub

This article describes SimEngine, an open-source R package for structuring, maintaining, running, and debugging statistical simulations on both local and cluster-based computing environments. Several R packages exist for structuring…

Computation · Statistics 2025-09-25 Avi Kenny , Charles J. Wolock

This demo paper introduces partitura, a Python package for handling symbolic musical information. The principal aim of this package is to handle richly structured musical information as conveyed by modern staff music notation. It provides a…

Sound · Computer Science 2022-02-01 Maarten Grachten , Carlos Cancino-Chacón , Thassilo Gadermaier

This paper describes a novel Python package, named causalgraph, for modeling and saving causal graphs embedded in knowledge graphs. The package has been designed to provide an interface between causal disciplines such as causal discovery…

Artificial Intelligence · Computer Science 2023-01-23 Sven Pieper , Carl Willy Mehling , Dominik Hirsch , Tobias Lüke , Steffen Ihlenfeldt

Reference sets contain known content that are used to identify relevant or filter irrelevant content. Application profiles are a type of reference set that contain digital artifacts associated with application software. An application…

Software Engineering · Computer Science 2021-03-08 Thomas Laurenson , Stephen MacDonell , Hank Wolfe

The R package GFA provides a full pipeline for factor analysis of multiple data sources that are represented as matrices with co-occurring samples. It allows learning dependencies between subsets of the data sources, decomposed into latent…

Mathematical Software · Computer Science 2016-11-08 Eemeli Leppäaho , Muhammad Ammad-ud-din , Samuel Kaski

The pseudo-random number generators (PRNGs), sampling algorithms, and algorithms for generating random integers in some common statistical packages and programming languages are unnecessarily inaccurate, by an amount that may matter for…

Computation · Statistics 2018-10-29 Philip B. Stark , Kellie Ottoboni

Software repositories is one of the sources of data in Empirical Software Engineering, primarily in the Mining Software Repositories field, aimed at extracting knowledge from the dynamics and practice of software projects. With the…

Software Engineering · Computer Science 2024-10-03 June Gorostidi , Adem Ait , Jordi Cabot , Javier Luis Cánovas Izquierdo

The use of packaged libraries can significantly shorten the software development cycle by improving the quality and readability of code. In this paper, we present a recommendation engine called Librarian for open source libraries. A…

Software Engineering · Computer Science 2023-02-08 Lili Tao , Alexandru-Petre Cazan , Senad Ibraimoski , Sean Moran

We present DataDeps.jl: a julia package for the reproducible handling of static datasets to enhance the repeatability of scripts used in the data and computational sciences. It is used to automate the data setup part of running software…

Software Engineering · Computer Science 2018-08-06 Lyndon White , Roberto Togneri , Wei Liu , Mohammed Bennamoun

We present a program package which generates homogeneous random graphs with probabilities prescribed by the user. The statistical weight of a labeled graph $\alpha$ is given in the form $W(\alpha)=\prod_{i=1}^N p(q_i)$, where $p(q)$ is an…

Disordered Systems and Neural Networks · Physics 2009-11-11 L. Bogacz , Z. Burda , W. Janke , B. Waclaw

GroupMath is a Mathematica package which performs several calculations related to semi-simple Lie algebras and the permutation groups, both of which are important in particle physics as well as in other areas of research.

High Energy Physics - Theory · Physics 2021-07-28 Renato M. Fonseca

This Mathematica 5.2 package~\footnote{QDENSITY is available at http://www.pitt.edu/~tabakin/QDENSITY} is a simulation of a Quantum Computer. The program provides a modular, instructive approach for generating the basic elements that make…

Quantum Physics · Physics 2016-08-16 B. Juliá-Díaz , J. M. Burdis , F. Tabakin

Generating structured input files to test programs can be performed by techniques that produce them from a grammar that serves as the specification for syntactically correct input files. Two interesting scenarios then arise for effective…

Software Engineering · Computer Science 2018-12-20 Esteban Pavese , Ezekiel Soremekun , Nikolas Havrikov , Lars Grunske , Andreas Zeller
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