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The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…

The apparent dichotomy between information-processing and dynamical approaches to complexity science forces researchers to choose between two diverging sets of tools and explanations, creating conflict and often hindering scientific…

Neurons and Cognition · Quantitative Biology 2022-01-26 Pedro A. M. Mediano , Fernando E. Rosas , Juan Carlos Farah , Murray Shanahan , Daniel Bor , Adam B. Barrett

We present PyOECP, a Python-based flexible open-source software for estimating and modeling the complex permittivity obtained from the open-ended coaxial probe (OECP) technique. The transformation of the measured reflection coefficient to…

Instrumentation and Detectors · Physics 2021-10-01 Tae Jun Yoon , Katie A. Maerzke , Robert P. Currier , Alp T. Findikoglu

CurvPy is an open-source Python library for automated curve fitting and regression analysis, aiming to make advanced statistical and machine learning techniques more accessible. This paper explores the mathematical foundations and…

Databases · Computer Science 2024-07-09 Sidharth S S

Summary: The development of automated servers to predict the three-dimensional structure of proteins has seen much progress over the years. These servers make modeling simpler, but largely exclude users from the process. We present an…

Biomolecules · Quantitative Biology 2017-02-08 Rowan Hatherley , David K. Brown , Özlem Tastan Bishop

Scientists and engineers employ stochastic numerical simulators to model empirically observed phenomena. In contrast to purely statistical models, simulators express scientific principles that provide powerful inductive biases, improve…

We consider the problem of identifying the provenance of free/open source software (FOSS) and specifically the need of identifying where reused source code has been copied from. We propose a lightweight approach to solve the problem based…

Software Engineering · Computer Science 2023-05-25 Yiming Sun , Daniel M. German , Stefano Zacchiroli

Most particle induced X-ray emission (PIXE) data analysis codes are not focused on handling multilayered samples. We have developed an open-source library called "LibCPIXE", for PIXE data analysis. It is written in standard C and implements…

Materials Science · Physics 2007-07-18 C. Pascual-Izarra , N. P. Barradas , M. A. Reis

In some theory development tasks, a problem is satisfactorily solved once it is shown that a theorem (conjecture) is derivable from the background theory (premises). Depending on one's motivations, the details of the derivation of the…

Logic · Mathematics 2012-04-16 Jesse Alama

In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…

Computational Physics · Physics 2025-01-17 Wanja Timm Schulze , Sebastian Schwalbe , Kai Trepte , Stefanie Gräfe

We present a Wikidata-based framework, called KIF, for virtually integrating heterogeneous knowledge sources. KIF is written in Python and is released as open-source. It leverages Wikidata's data model and vocabulary plus user-defined…

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

Computational Engineering, Finance, and Science · Computer Science 2012-11-27 Sriganesh Srihari , Hon Wai Leong

PyTorch \texttt{2.x} introduces a compiler designed to accelerate deep learning programs. However, for machine learning researchers, adapting to the PyTorch compiler to full potential can be challenging. The compiler operates at the Python…

Machine Learning · Computer Science 2024-03-22 Kaichao You , Runsheng Bai , Meng Cao , Jianmin Wang , Ion Stoica , Mingsheng Long

This paper introduces PYTHEN, a novel Python-based framework for defeasible legal reasoning. PYTHEN is designed to model the inherently defeasible nature of legal argumentation, providing a flexible and intuitive syntax for representing…

Computation and Language · Computer Science 2026-03-17 Ha-Thanh Nguyen , Ken Satoh

Standard techniques for studying biological systems largely focus on their dynamical, or, more recently, their informational properties, usually taking either a reductionist or holistic perspective. Yet, studying only individual system…

Quantitative Methods · Quantitative Biology 2018-02-07 William Marshall , Hyunju Kim , Sara I. Walker , Giulio Tononi , Larissa Albantakis

We introduce PyChEst, a Python package which provides tools for the simultaneous estimation of multiple changepoints in the distribution of piece-wise stationary time series. The nonparametric algorithms implemented are provably consistent…

Computation · Statistics 2021-12-21 Azadeh Khaleghi , Lukas Zierahn

This paper introduces the shapr R package, a versatile tool for generating Shapley value-based prediction explanations for machine learning and statistical regression models. Moreover, the shaprpy Python library brings the core capabilities…

Machine Learning · Computer Science 2026-02-03 Martin Jullum , Lars Henry Berge Olsen , Jon Lachmann , Annabelle Redelmeier

DisCoPy (Distributional Compositional Python) is an open source toolbox for computing with string diagrams and functors. In particular, the diagram data structure allows to encode various kinds of quantum processes, with functors for…

Quantum Physics · Physics 2022-05-12 Alexis Toumi , Giovanni de Felice , Richie Yeung

Leveraging medical record information in the era of big data and machine learning comes with the caveat that data must be cleaned and de-identified. Facilitating data sharing and harmonization for multi-center collaborations are…

Image and Video Processing · Electrical Eng. & Systems 2023-05-11 Adrienne Kline , Vinesh Appadurai , Yuan Luo , Sanjiv Shah

Large scale models of physical phenomena demand the development of new statistical and computational tools in order to be effective. Many such models are `sloppy', i.e., exhibit behavior controlled by a relatively small number of parameter…