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As modern scientific simulations grow ever more in size and complexity, even their analysis and post-processing becomes increasingly demanding, calling for the use of HPC resources and methods. yt is a parallel, open source post-processing…
The characterization of exoplanet requires reliable determination of the fundamental parameters of their host stars. Spectral fitting plays an important role in this process. For the majority of stellar parameters matching synthetic spectra…
This paper presents a lightweight, open-source and high-performance python package for solving peridynamics problems in solid mechanics. The development of this solver is motivated by the need for fast analysis tools to achieve the large…
radioactivedecay is a Python package for radioactive decay modelling. It contains functions to fetch decay data, define inventories of nuclides and perform decay calculations. The default nuclear decay dataset supplied with radioactivedecay…
Pythonic Black-box Electronic Structure Tool (PyBEST) represents a fully-fledged modern electronic structure software package developed at Nicolaus Copernicus University in Toru\'n. The package provides an efficient and reliable platform…
We present celmech, an open-source Python package designed to facilitate a wide variety of celestial mechanics calculations. The package allows users to formulate and integrate equations of motion incorporating user-specified terms from the…
Plasma diagnostics are the bases of investigation into the physical and chemical properties of line-emitting gaseous systems. To perform plasma diagnostics properly, it is essential to correct the input spectrum for extinction properly.…
Active inference is an account of cognition and behavior in complex systems which brings together action, perception, and learning under the theoretical mantle of Bayesian inference. Active inference has seen growing applications in…
imbalanced-ensemble, abbreviated as imbens, is an open-source Python toolbox for leveraging the power of ensemble learning to address the class imbalance problem. It provides standard implementations of popular ensemble imbalanced learning…
We present a new software pipeline -- PyMorph -- for automated estimation of structural parameters of galaxies. Both parametric fits through a two dimensional bulge disk decomposition as well as structural parameter measurements like…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
We introduce PyMGal, a Python package for generating optical mock observations of galaxies from hydrodynamical simulations. PyMGal reads the properties of stellar particles from these simulations and generates spectral energy distributions…
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 present ZodiPy, a modern and easy-to-use Python package for modeling the zodiacal emission seen by an arbitrary Solar System observer, which can be used for the removal of both thermal emission and scattered sunlight from interplanetary…
EpiLearn is a Python toolkit developed for modeling, simulating, and analyzing epidemic data. Although there exist several packages that also deal with epidemic modeling, they are often restricted to mechanistic models or traditional…
In the rapidly evolving software development landscape, Python stands out for its simplicity, versatility, and extensive ecosystem. Python packages, as units of organization, reusability, and distribution, have become a pressing concern,…
Probabilistic numerical methods (PNMs) solve numerical problems via probabilistic inference. They have been developed for linear algebra, optimization, integration and differential equation simulation. PNMs naturally incorporate prior…
pyGDM is a python toolkit for electro-dynamical simulations in nano-optics based on the Green Dyadic Method (GDM). In contrast to most other coupled-dipole codes, pyGDM uses a generalized propagator, which allows to cost-efficiently solve…
Understanding protein function at the molecular level requires connecting residue-level annotations with physical and structural properties. This can be cumbersome and error-prone when functional annotation, computation of physico-chemical…
We present a tool, VELNEB_3D, which can be applied to the results of 3D photoionization codes to generate emission line profiles, position-velocity maps and 3D maps in any emission line by assuming an arbitrary velocity field. We give a few…