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Bayesian Networks (BNs) are used in various fields for modeling, prediction, and decision making. pgmpy is a python package that provides a collection of algorithms and tools to work with BNs and related models. It implements algorithms for…

Machine Learning · Computer Science 2023-04-19 Ankur Ankan , Johannes Textor

Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…

Computational Physics · Physics 2014-02-06 Michele Ceriotti , Joshua More , David E. Manolopoulos

This paper introduces \texttt{infotheory}: a package written in C++ and usable from Python and C++, for multivariate information theoretic analyses of discrete and continuous data. This package allows the user to study the relationship…

Information Theory · Computer Science 2021-06-11 Madhavun Candadai , Eduardo J. Izquierdo

We have developed PyTIE (Python Topological Indices Expressions) which is defined as the collections of Python packages such as PyTIE D, PyTIE DS, PyTIE SMS DE, and PyTIE SMS DSE, which are open-source software packages and cross-platform…

Chemical Physics · Physics 2025-11-03 Sahaya Vijay Jeyaraj , Roy S , Govardhan S , Tony Augustine , Jyothish K

NIFTY, "Numerical Information Field Theory", is a software package designed to enable the development of signal inference algorithms that operate regardless of the underlying spatial grid and its resolution. Its object-oriented framework is…

Instrumentation and Methods for Astrophysics · Physics 2013-06-06 Marco Selig , Michael R. Bell , Henrik Junklewitz , Niels Oppermann , Martin Reinecke , Maksim Greiner , Carlos Pachajoa , Torsten A. Enßlin

PySPH is an open-source, Python-based, framework for particle methods in general and Smoothed Particle Hydrodynamics (SPH) in particular. PySPH allows a user to define a complete SPH simulation using pure Python. High-performance code is…

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…

Image and Video Processing · Electrical Eng. & Systems 2021-04-29 Alain Jungo , Olivier Scheidegger , Mauricio Reyes , Fabian Balsiger

PyPI provides a convenient and accessible package management platform to developers, enabling them to quickly implement specific functions and improve work efficiency. However, the rapid development of the PyPI ecosystem has led to a severe…

Software Engineering · Computer Science 2023-09-21 Wenbo Guo , Zhengzi Xu , Chengwei Liu , Cheng Huang , Yong Fang , Yang Liu

Automated data-driven modeling, the process of directly discovering the governing equations of a system from data, is increasingly being used across the scientific community. PySINDy is a Python package that provides tools for applying the…

Despite the explosion of interest in healthcare AI research, the reproducibility and benchmarking of those research works are often limited due to the lack of standard benchmark datasets and diverse evaluation metrics. To address this…

Machine Learning · Computer Science 2021-01-13 Yue Zhao , Zhi Qiao , Cao Xiao , Lucas Glass , Jimeng Sun

Most information dynamics and statistical causal analysis frameworks rely on the common intuition that causal interactions are intrinsically pairwise -- every 'cause' variable has an associated 'effect' variable, so that a 'causal arrow'…

Neurons and Cognition · Quantitative Biology 2019-09-06 Pedro A. M. Mediano , Fernando Rosas , Robin L. Carhart-Harris , Anil K. Seth , Adam B. Barrett

In addition to efficient statistical estimators of a treatment's effect, successful application of causal inference requires specifying assumptions about the mechanisms underlying observed data and testing whether they are valid, and to…

Methodology · Statistics 2020-11-10 Amit Sharma , Emre Kiciman

Background. In modern software development, the use of external libraries and packages is increasingly prevalent, streamlining the software development process and enabling developers to deploy feature-rich systems with little coding. While…

Software Engineering · Computer Science 2024-12-09 Haya Samaana , Diego Elias Costa , Emad Shihab , Ahmad Abdellatif

PySINDy is a Python package for the discovery of governing dynamical systems models from data. In particular, PySINDy provides tools for applying the sparse identification of nonlinear dynamics (SINDy) (Brunton et al. 2016) approach to…

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

We present PyRigi, a novel Python package designed to study the rigidity properties of graphs and frameworks. Among many other capabilities, PyRigi can determine whether a graph admits only finitely many ways, up to isometries, of being…

Metric Geometry · Mathematics 2025-06-06 Matteo Gallet , Georg Grasegger , Matthias Himmelmann , Jan Legerský

PaPy, which stands for parallel pipelines in Python, is a highly flexible framework that enables the construction of robust, scalable workflows for either generating or processing voluminous datasets. A workflow is created from user-written…

Programming Languages · Computer Science 2014-07-17 Marcin Cieslik , Cameron Mura

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…

Human-Computer Interaction · Computer Science 2022-12-06 A. Ikäheimonen , A. M. Triana , N. Luong , A. Ziaei , J. Rantaharju , R. Darst , T. Aledavood

Information theory, i.e. the mathematical analysis of information and of its processing, has become a tenet of modern science; yet, its use in real-world studies is usually hindered by its computational complexity, the lack of coherent…

Physics and Society · Physics 2025-08-18 Carlson Moses Büth , Kishor Acharya , Massimiliano Zanin

Understanding how the brain functions is one of the biggest challenges of our time. The analysis of experimentally recorded neural firing patterns (spike trains) plays a crucial role in addressing this problem. Here, the PySpike library is…

Data Analysis, Statistics and Probability · Physics 2016-07-12 Mario Mulansky , Thomas Kreuz
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