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The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…

An algorithm implemented in an open-source python library was developed for building periodic coincidence site lattice (CSL) grain boundary models in a universal fashion. The software framework aims to generate tilt and twist grain…

We introduce PyParSVD\footnote{https://github.com/Romit-Maulik/PyParSVD}, a Python library that implements a streaming, distributed and randomized algorithm for the singular value decomposition. To demonstrate its effectiveness, we extract…

We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework allows users to construct, manipulate, and evolve multipartite quantum systems that consist of spins and electronic…

We present pyroomacoustics, a software package aimed at the rapid development and testing of audio array processing algorithms. The content of the package can be divided into three main components: an intuitive Python object-oriented…

An open source symbolic tool for vector fields analysis 'SymFields' is developed in Python. The SymFields module is constructed upon Python symbolic module sympy, which could only conduct scaler field analysis. With SymFields module, you…

In this paper, we present a new Python library called mPyPl, which is intended to simplify complex data processing tasks using functional approach. This library defines operations on lazy data streams of named dictionaries represented as…

This paper introduces PyGAD, an open-source easy-to-use Python library for building the genetic algorithm. PyGAD supports a wide range of parameters to give the user control over everything in its life cycle. This includes, but is not…

We present PyMoosh, a Python-based simulation library designed to provide a comprehensive set of numerical tools allowing to compute essentially all optical characteristics of multilayered structures, ranging from reflectance and…

We outline the development of a general-purpose Python-based data analysis tool for OpenFOAM. Our implementation relies on the construction of OpenFOAM applications that have bindings to data analysis libraries in Python. Double precision…

3D reassembly is a challenging spatial intelligence task with broad applications across scientific domains. While large-scale synthetic datasets have fueled promising learning-based approaches, their generalizability to different domains is…

PYSCF is a Python-based general-purpose electronic structure platform that both supports first-principles simulations of molecules and solids, as well as accelerates the development of new methodology and complex computational workflows.…

Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major…

The Python package fluidfft provides a common Python API for performing Fast Fourier Transforms (FFT) in sequential, in parallel and on GPU with different FFT libraries (FFTW, P3DFFT, PFFT, cuFFT). fluidfft is a comprehensive FFT framework…

We introduce SeismoStats, a Python package that enables essential statistical seismology analyses, with a focus on well-established methods. The package provides user-friendly tools to download and manipulate earthquake catalogs, but also…

The increasing reliance on machine learning (ML) models for decision-making requires high-quality training data. However, access to real-world datasets is often restricted due to privacy concerns, proprietary restrictions, and incomplete…

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 present PyWolf, an open-source software capable of performing numerical simulations of partially coherent light propagation from two-dimensional light sources. PyWolf computes the evolution of a user-defined cross-spectral density…

This paper presents a simulation workflow for generating synthetic LiDAR datasets to support autonomous vehicle perception, robotics research, and sensor security analysis. Leveraging the CoppeliaSim simulation environment and its Python…

We describe our contribution as industrial stakeholders to the existing open-source GPU4PySCF project (https: //github.com/pyscf/gpu4pyscf), a GPU-accelerated Python quantum chemistry package. We have integrated GPU acceleration into other…