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Robust estimation provides essential tools for analyzing data that contain outliers, ensuring that statistical models remain reliable even in the presence of some anomalous data. While robust methods have long been available in R, users of…

Computation · Statistics 2024-11-05 Sarah Leyder , Jakob Raymaekers , Peter J. Rousseeuw , Thomas Servotte , Tim Verdonck

anesthetic is a Python package for processing nested sampling runs, and will be useful for any scientist or statistician who uses nested sampling software. anesthetic unifies many existing tools and techniques in an extensible framework…

Instrumentation and Methods for Astrophysics · Physics 2019-05-14 Will Handley

modAL is a modular active learning framework for Python, aimed to make active learning research and practice simpler. Its distinguishing features are (i) clear and modular object oriented design (ii) full compatibility with scikit-learn…

Machine Learning · Computer Science 2018-12-13 Tivadar Danka , Peter Horvath

We introduce SpreadPy as a Python library for simulating spreading activation in cognitive single-layer and multiplex networks. Our tool is designed to perform numerical simulations testing structure-function relationships in cognitive…

Computation and Language · Computer Science 2025-07-15 Salvatore Citraro , Edith Haim , Alessandra Carini , Cynthia S. Q. Siew , Giulio Rossetti , Massimo Stella

Correct performance assessment is crucial for evaluating modern artificial intelligence algorithms in medicine like deep-learning based medical image segmentation models. However, there is no universal metric library in Python for…

Computer Vision and Pattern Recognition · Computer Science 2022-01-25 Dominik Müller , Dennis Hartmann , Philip Meyer , Florian Auer , Iñaki Soto-Rey , Frank Kramer

\texttt{ml\_edm} is a Python 3 library, designed for early decision making of any learning tasks involving temporal/sequential data. The package is also modular, providing researchers an easy way to implement their own triggering strategy…

We present the AMPS algorithm, a finite element solution method that combines principal submatrix updates and Schur complement techniques, well-suited for interactive simulations of deformation and cutting of finite element meshes. Our…

Computational Engineering, Finance, and Science · Computer Science 2018-11-02 Yu-Hong Yeung , Alex Pothen , Jessica Crouch

Existing Python libraries and tools lack the ability to efficiently compute statistical test results for large datasets in the presence of missing values. This presents an issue as soon as constraints on runtime and memory availability…

Mathematical Software · Computer Science 2025-05-02 Fabian Woller , Lis Arend , Christian Fuchsberger , Markus List , David B. Blumenthal

We present our latest advancements of machine-learned potentials (MLPs) based on the neuroevolution potential (NEP) framework introduced in [Fan et al., Phys. Rev. B 104, 104309 (2021)] and their implementation in the open-source package…

We present Paicos, a new object-oriented Python package for analyzing simulations performed with Arepo. Paicos strives to reduce the learning curve for students and researchers getting started with Arepo simulations. As such, Paicos…

Instrumentation and Methods for Astrophysics · Physics 2024-04-24 Thomas Berlok , Léna Jlassi , Ewald Puchwein , Troels Haugbølle

DADApy is a python software package for analysing and characterising high-dimensional data manifolds. It provides methods for estimating the intrinsic dimension and the probability density, for performing density-based clustering and for…

\texttt{aurel} is an open-source Python package designed to \emph{au}tomatically calculate \emph{rel}ativistic quantities. It uses an efficient, flexible and user-friendly caching and dependency-tracking system, ideal for managing the…

Instrumentation and Methods for Astrophysics · Physics 2026-02-13 Robyn L. Munoz , Christian T. Byrnes , Will J. Roper

The community's reliance on simplified descriptions of WIMP-nucleus interactions reflects the absence of analysis tools that integrate general theories of dark matter with standard treatments of nuclear response functions. To bridge this…

High Energy Physics - Phenomenology · Physics 2014-07-02 Nikhil Anand , A. Liam Fitzpatrick , W. C. Haxton

PLUMED is an open-source software package that is widely used for analyzing and enhancing molecular dynamics simulations that works in conjunction with most available molecular dynamics softwares. While the computational cost of PLUMED…

Computational Physics · Physics 2025-11-05 Daniele Rapetti , Massimiliano Bonomi , Carlo Camilloni , Giovanni Bussi , Gareth A. Tribello

Computational materials science produces large quantities of data, both in terms of high-throughput calculations and individual studies. Extracting knowledge from this large and heterogeneous pool of data is challenging due to the wide…

Materials Science · Physics 2024-10-23 Martin Kuban , Santiago Rigamonti , Claudia Draxl

DeePMD-kit is a powerful open-source software package that facilitates molecular dynamics simulations using machine learning potentials (MLP) known as Deep Potential (DP) models. This package, which was released in 2017, has been widely…

We present a Python package called Modular Petri Net Assembly Toolkit (MPAT) that empowers users to easily create large-scale, modular Petri Nets for various spatial configurations, including extensive spatial grids or those derived from…

Mathematical Software · Computer Science 2025-07-03 Stefano Chiaradonna , Petar Jevtic , Beckett Sterner

PyPWA is a toolkit designed to optimize parametric models describing data and generate simulated distributions according to a model. Its software has been written within the python ecosystem with the goal of performing Amplitude or Partial…

Data Analysis, Statistics and Probability · Physics 2023-06-06 Mark Jones , Peter Hurck , William Phelps , Carlos W. Salgado

Compound AI applications, which compose calls to ML models using a general-purpose programming language like Python, are widely used for a variety of user-facing tasks, from software engineering to enterprise automation, making their…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-05-19 Stephen Mell , David Mell , Konstantinos Kallas , Steve Zdancewic , Osbert Bastani

The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries…

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