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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

In the last decades, scientific software has graduated from a hidden side-product to a first-class member of the astrophysics literature. We aim to quantify the activity and impact of software development for astronomy, using a systematic…

Instrumentation and Methods for Astrophysics · Physics 2025-12-12 Johannes Buchner

The astronomy, astroparticle and particle physics communities are brought together through the ESCAPE (European Science Cluster of Astronomy and Particle Physics ESFRI research infrastructures) project to create a cluster focused on common…

Instrumentation and Methods for Astrophysics · Physics 2022-12-02 Thomas Vuillaume , Enrique Garcia , Christian Tacke , Tamas Gal

The use of several open source scientific packages in the Schr\"odinger Materials Science Suite will be discussed. A typical workflow for materials discovery will be described, discussing how open source packages have been incorporated at…

Computational Physics · Physics 2025-10-28 Alexandr Fonari , Farshad Fallah , Michael Rauch

There are numerous approaches to building analysis applications across the high-energy physics community. Among them are Python-based, or at least Python-driven, analysis workflows. We aim to ease the adoption of a Python-based analysis…

Computational Physics · Physics 2018-04-25 David Lange

Any cutting-edge scientific research project requires a myriad of computational tools for data generation, management, analysis and visualization. Python is a flexible and extensible scientific programming platform that offered the perfect…

Quantitative Methods · Quantitative Biology 2008-03-14 Julius B. Lucks

The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…

Computational Physics · Physics 2025-03-18 Patrick Müller , Wilfried Nörtershäuser

Planetary science space missions need high quality software ed efficient algorithms in order to extract innovative scientific results from flight data. Reliable and efficient software technologies are increasingly vital to improve and…

Instrumentation and Methods for Astrophysics · Physics 2020-04-14 Francesco Lazzarotto , Gabriele Cremonese , Alice Lucchetti , Cristina Re , Emanuele Simioni , Maurizio Pajola , Pamela Cambianica , Giovanni Munaretto

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…

Chemical Physics · Physics 2026-04-09 Qiming Sun , Matthew R Hermes , Xiaojie Wu , Huanchen Zhai , Xing Zhang , Abdelrahman M. Ahmed , Juan José Aucar , Oliver J. Backhouse , Samragni Banerjee , Peng Bao , Nikolay A. Bogdanov , Kyle Bystrom , Frédéric Chapoton , Ning-Yuan Chen , Ivan Yu. Chernyshov , Helen S. Clifford , Sander Cohen-Janes , Zhi-Hao Cui , Yann D. Damour , Nike Dattani , Linus Bjarne Dittmer , Sebastian Ehlert , Janus Juul Eriksen , Francesco A. Evangelista , Simon A. Ewing , Ardavan Farahvash , Kevin Focke , Yang Gao , Kevin E. Gasperich , Nathan Gillispie , Jonas Greiner , Matthew R. Hennefarth , Jan Hermann , Christopher Hillenbrand , Joonatan Huhtasalo , Basil Ibrahim , Bhavnesh Jangid , Alireza Nejati Javaremi , Andrew J. Jenkins , Yu Jin , Daniel S. King , Derk Pieter Kooi , Jo S. Kurian , Henrik R. Larsson , Bryan Tak Gwong Lau , Seunghoon Lee , Susi Lehtola , Chenghan Li , Hao Li , Jiachen Li , Rui Li , Shuhang Li , Aleksandr O. Lykhin , Ankit Mahajan , Nastasia Mauger , Pablo del Mazo-Sevillano , Jonathan Moussa , Kousuke Nakano , Verena A. Neufeld , Linqing Peng , Hung Q. Pham , Peter Pinski , Pavel Pokhilko , Zhichen Pu , Yubing Qian , Stephen Jon Quiton , Wanja T. Schulze , Thais R. Scott , Aniruddha Seal , James D. Serna , James E. T. Smith , Kori E. Smyser , Terrence Stahl , Chong Sun , Kevin J. Sung , Egor Trushin , Shiv Upadhyay , Ethan A. Vo , Thijs Vogels , Shirong Wang , Tai Wang , Xiao Wang , Xubo Wang , Yuanheng Wang , Mark Williamson , Junjie Yang , Hong-Zhou Ye , Chia-Nan Yeh , Haiyang Yu , Jincheng Yu , Victor Wen-zhe Yu , Chaoqun Zhang , Dayou Zhang , Yichi Zhang , Zijun Zhao , Zehao Zhou , Andrew J. Zhu , Tianyu Zhu , Timothy C. Berkelbach , Laura Gagliardi , Sandeep Sharma , Alexander Sokolov , Garnet Kin-Lic Chan

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…

Raman spectroscopy is a non-destructive and label-free chemical analysis technique, which plays a key role in the analysis and discovery cycle of various branches of science. Nonetheless, progress in Raman spectroscopic analysis is still…

The Python Sky Model (PySM) is a Python package used by Cosmic Microwave Background (CMB) experiments to simulate maps, in HEALPix pixelization, of the various diffuse astrophysical components of Galactic emission relevant at CMB…

Instrumentation and Methods for Astrophysics · Physics 2021-11-03 Andrea Zonca , Ben Thorne , Nicoletta Krachmalnicoff , Julian Borrill

Numpy and SciPy are program libraries for the Python scripting language, which apply to a large spectrum of numerical and scientific computing tasks. The Sage project provides a multiplatform software environment which enables one to use,…

Numerical Analysis · Mathematics 2012-08-21 Lauri Ruotsalainen , Matti Vuorinen

Mayavi is an open-source, general-purpose, 3D scientific visualization package. It seeks to provide easy and interactive tools for data visualization that fit with the scientific user's workflow. For this purpose, Mayavi provides several…

Software Engineering · Computer Science 2011-03-14 Prabhu Ramachandran , Gaël Varoquaux

Access to astronomical data through archives and VO is essential but does not solve all problems. Availability of appropriate software for analyzing the data is often equally important for the efficiency with which a researcher can publish…

Instrumentation and Methods for Astrophysics · Physics 2010-04-27 P. Grosbol , D. Tody

Build-time configuration and environment assumptions are hampering progress and usability in scientific software. That which would be utterly unacceptable in non-scientific software somehow passes for the norm in scientific packages. The…

Software Engineering · Computer Science 2014-07-11 Jed Brown , Matthew G. Knepley , Barry F. Smith

In the upcoming decades, the KM3NeT detectors will produce valuable data that can be used in various scientific contexts from astro- and particle physics to environmental and Earth and Sea science. Based on the Open Science policy…

Instrumentation and Methods for Astrophysics · Physics 2021-10-27 Jutta Schnabel , Piotr Kalaczyński , Cristiano Bozza , Tamas Gal

This paper was prepared by the HEP Software Foundation (HSF) PyHEP Working Group as input to the second phase of the LHCC review of High-Luminosity LHC (HL-LHC) computing, which took place in November, 2021. It describes the adoption of…

Data Analysis, Statistics and Probability · Physics 2022-02-09 Jim Pivarski , Eduardo Rodrigues , Kevin Pedro , Oksana Shadura , Benjamin Krikler , Graeme A. Stewart

ScopeSim is a flexible multipurpose instrument data simulation framework built in Python. It enables both raw and reduced observation data to be simulated for a wide range of telescopes and instruments quickly and efficiently on a personal…

Instrumentation and Methods for Astrophysics · Physics 2021-09-29 Kieran Leschinski , Hugo Buddelmeijer , Oliver Czoske , Miguel Verdugo , Gijs Verdoes-Kleijn , Werner Zeilinger