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We describe how Python can be leveraged to streamline the curation, modelling and dissemination of drug discovery data as well as the development of innovative, freely available tools for the related scientific community. We look at various…

Other Computer Science · Computer Science 2016-07-05 Michał Nowotka , George Papadatos , Mark Davies , Nathan Dedman , Anne Hersey

The abundance of functional observations in scientific endeavors has led to a significant development in tools for functional data analysis (FDA). This kind of data comes with several challenges: infinite-dimensionality of function spaces,…

Methodology · Statistics 2015-12-11 J. S. Marron , James O. Ramsay , Laura M. Sangalli , Anuj Srivastava

The dynamic mode decomposition (DMD) is a simple and powerful data-driven modeling technique that is capable of revealing coherent spatiotemporal patterns from data. The method's linear algebra-based formulation additionally allows for a…

Many real-world applications involve analyzing time-dependent phenomena, which are intrinsically functional, consisting of curves varying over a continuum (e.g., time). When analyzing continuous data, functional data analysis (FDA) provides…

Human-Computer Interaction · Computer Science 2023-06-19 Fnu Shilpika , Takanori Fujiwara , Naohisa Sakamoto , Jorji Nonaka , Kwan-Liu Ma

Since its start in 2014, the lightweight open source Python library Gammapy has come a long way to become a popular data analysis package for high-energy astrophysics. Selected as the official CTAO Science Analysis tool, it is also an…

Instrumentation and Methods for Astrophysics · Physics 2023-08-28 B. Khélifi , R. Terrier , A. Donath , A. Sinha , Q. Remy , F. Pintore

The usage of the high-level scripting language Python has enabled new mechanisms for data interrogation, discovery and visualization of scientific data. We present yt, an open source, community-developed astrophysical analysis and…

Instrumentation and Methods for Astrophysics · Physics 2011-12-21 Matthew J. Turk , Britton D. Smith

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

Python has become a standard scientific computing language with fast-growing support of machine learning and data analysis modules, as well as an increasing usage of big data. The Dynamic Distributed Dimensional Data Model (D4M) offers a…

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…

I describe the design, implementation, and usage of galpy, a Python package for galactic-dynamics calculations. At its core, galpy consists of a general framework for representing galactic potentials both in Python and in C (for accelerated…

Astrophysics of Galaxies · Physics 2015-06-23 Jo Bovy

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

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

This paper presents a systematic review of Python packages with a focus on time series analysis. The objective is to provide (1) an overview of the different time series analysis tasks and preprocessing methods implemented, and (2) an…

Mathematical Software · Computer Science 2021-06-23 Julien Siebert , Janek Groß , Christof Schroth

We present the first public release (v0.1) of the open-source GADGET Dataframe Library: gadfly. The aim of this package is to leverage the capabilities of the broader python scientific computing ecosystem by providing tools for analyzing…

Instrumentation and Methods for Astrophysics · Physics 2016-10-19 Jacob Hummel

ergodicity is an open-source Python library for computational work on stochastic dynamics, with particular emphasis on non-ergodicity, time-average behavior, heavy-tailed processes, and decision making under uncertainty. The package brings…

Computation · Statistics 2026-05-14 Ihor Kendiukhov

In many phenomena, data are collected on a large scale and of different frequencies. In this context, functional data analysis (FDA) has become an important statistical methodology for analyzing and modeling such data. The approach of FDA…

Methodology · Statistics 2022-04-11 Israel Martínez-Hernández , Marc G. Genton

Although there are established graphics that accompany the most common functional data analyses, generating these graphics for each dataset and analysis can be cumbersome and time consuming. Often, the barriers to visualization inhibit…

Other Statistics · Statistics 2016-02-15 Julia Wrobel , So Young Park , Ana Maria Staicu , Jeff Goldsmith

This paper presents SunPy (version 0.5), a community-developed Python package for solar physics. Python, a free, cross-platform, general-purpose, high-level programming language, has seen widespread adoption among the scientific community,…

Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of…

Computer Vision and Pattern Recognition · Computer Science 2023-03-09 Jin Hyun Cheong , Eshin Jolly , Tiankang Xie , Sophie Byrne , Matthew Kenney , Luke J. Chang

The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…

Materials Science · Physics 2025-10-31 Simone Martino , Matteo Becchi , Andrew Tarzia , Daniele Rapetti , Giovanni M. Pavan