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This brief code paper presents a new Python-wrapped version of the popular 21cm cosmology simulator, 21cmFAST. The new version, v3+, maintains the same core functionality of previous versions of 21cmFAST, but features a simple and intuitive…

PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…

There are a number of different phenomena in the early universe that have to be studied numerically with lattice simulations. This paper presents a graphics processing unit (GPU) accelerated Python program called PyCOOL that solves the…

Cosmological correlators hold the key to high-energy physics as they probe the earliest moments of our Universe, and conceal hidden mathematical structures. However, even at tree-level, perturbative calculations are limited by technical…

astroquery is a collection of tools for requesting data from databases hosted on remote servers with interfaces exposed on the internet, including those with web pages but without formal application program interfaces (APIs). These tools…

We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern versions of QMC algorithms in an accessible format, enabling…

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.…

The PySCF package has emerged as a powerful and flexible open-source platform for quantum chemistry simulations. However, the efficiency of electronic structure calculations can vary significantly depending on the choice of computational…

This paper presents a Python software package, Ph3pyWF, providing a more convenient platform to realize high-throughput analysis of lattice thermal conductivity for ceramic materials. The interface of Ph3pyWF is friendly for users with…

We present the first public version (v0.2) of the open-source and community-developed Python package, Astropy. This package provides core astronomy-related functionality to the community, including support for domain-specific file formats…

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…

Understanding astrophysical and cosmological processes can be challenging due to their complexity and lack of intuitive analogies. To address this, we present \texttt{AstronomyCalc}, a Python package specifically designed to aid…

This technical report attempts to provide efficient and solid kits addressed on the field of crowd counting, which is denoted as Crowd Counting Code Framework (C$^3$F). The contributions of C$^3$F are in three folds: 1) Some solid baseline…

We present recent developments in the parallelization scheme of ECHO-3DHPC, an efficient astrophysical code used in the modelling of relativistic plasmas. With the help of the Intel Software Development Tools, like Fortran compiler and…

Physical reservoir computing (PRC) is a computing framework that harnesses the intrinsic dynamics of physical systems for computation. It offers a promising energy-efficient alternative to traditional von Neumann computing for certain…

We present Kosmulator, a modular and vectorised Python framework designed to accelerate the statistical testing of cosmological models. As the theoretical landscape expands beyond standard $\Lambda$CDM, implementing new expansion histories…

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 programming language is becoming increasingly popular for scientific applications due to its simplicity, versatility, and the broad range of its libraries. A drawback of this dynamic language, however, is its low runtime…

Astrocomp is a joint project, developed by the INAF-Astrophysical Observatory of Catania, University of Roma La Sapienza and Enea. The project has the goal of providing the scientific community of a web-based user-friendly interface which…

HMCF "Hamiltonian Monte Carlo for Fields" is a software add-on for the NIFTy "Numerical Information Field Theory" framework implementing Hamiltonian Monte Carlo (HMC) sampling in Python. HMCF as well as NIFTy are designed to address…