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We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
We introduce pymovements: a Python package for analyzing eye-tracking data that follows best practices in software development, including rigorous testing and adherence to coding standards. The package provides functionality for key…
The Python colorspace package provides a toolbox for mapping between different color spaces which can then be used to generate a wide range of perceptually-based color palettes for qualitative or quantitative (sequential or diverging)…
ABCpy is a highly modular scientific library for Approximate Bayesian Computation (ABC) written in Python. The main contribution of this paper is to document a software engineering effort that enables domain scientists to easily apply ABC…
Computation of Mutual Information (MI) helps understand the amount of information shared between a pair of random variables. Automated feature selection techniques based on MI ranking are regularly used to extract information from sensitive…
Novelpy (v1.2) is an open-source Python package designed to compute bibliometrics indicators. The package aims to provide a tool to the scientometrics community that centralizes different measures of novelty and disruptiveness, enables…
The SunPy Project is a community of scientists and software developers creating an ecosystem of Python packages for solar physics. The project includes the sunpy core package as well as a set of affiliated packages. The sunpy core package…
Power laws are theoretically interesting probability distributions that are also frequently used to describe empirical data. In recent years effective statistical methods for fitting power laws have been developed, but appropriate use of…
`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many…
Density peaks clustering (DP) has the ability of detecting clusters of arbitrary shape and clustering non-Euclidean space data, but its quadratic complexity in both computing and storage makes it difficult to scale for big data. Various…
An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…
When faced with new data, we often conduct a cluster analysis to obtain a better understanding of the data's structure and the archetypical samples present in the data. This process often includes visualization of the data, either as a way…
Over the last few years, with the growth of time-series collecting and storing, there has been a great demand for tools and software for temporal data engineering and modeling. This paper presents a generic workflow for time series data…
Differential privacy (DP) is the state-of-the-art framework for guaranteeing privacy for individuals when releasing aggregated statistics or building statistical/machine learning models from data. We develop the open-source R package DPpack…
Visualization of multidimensional, categorical data is a common challenge across scientific areas and, in particular, the life sciences. The goal is to create a comprehensive overview of the underlying data which allows to assess multiple…
Accurate approximation of a real-valued function depends on two aspects of the available data: the density of inputs within the domain of interest and the variation of the outputs over that domain. There are few methods for assessing…
The Italian AGILE space mission, with its Gamma-Ray Imaging Detector (GRID) instrument sensitive in the 30 MeV-50 GeV gamma-ray energy band, has been operating since 2007. Agilepy is an open-source Python package to analyse AGILE/GRID data.…
NEMESISPY is a Python package developed to perform parametric atmospheric modelling and radiative transfer calculation for the retrievals of exoplanetary spectra. It is a recent development of the well-established Fortran NEMESIS library…
As the size of images and data products derived from astronomical data continues to increase, new tools are needed to visualize and interact with that data in a meaningful way. Motivated by our own astronomical images taken with the Dark…
Discovering patterns of the complex high-dimensional data is a long-standing problem. Dimension Reduction (DR) and Intrinsic Dimension Estimation (IDE) are two fundamental thematic programs that facilitate geometric understanding of the…