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We present SPIKE (Spectrometry Processing Innovative KErnel), an open-source Python package dedicated to Fourier spectroscopies. It provides basic functionalities such as apodisation, a complete set of Fourier transforms, phasing for NMR),…

Computational Physics · Physics 2016-08-25 Lionel Chiron , Marie-Aude Coutouly , Jean-Philippe Starck , Christian Rolando , Marc-André Delsuc

Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy advanced with new detector technologies and integration of…

Instrumentation and Detectors · Physics 2023-03-01 Rama Vasudevan , Mani Valleti , Maxim Ziatdinov , Gerd Duscher , Suhas Somnath

PySPH is an open-source, Python-based, framework for particle methods in general and Smoothed Particle Hydrodynamics (SPH) in particular. PySPH allows a user to define a complete SPH simulation using pure Python. High-performance code is…

In the rapidly evolving field of bioimaging, the integration and orchestration of Findable, Accessible, Interoperable, and Reusable (FAIR) image analysis workflows remains a challenge. We introduce BIOMERO, a bridge connecting OMERO, a…

Software Engineering · Computer Science 2024-07-26 Torec T. Luik , Rodrigo Rosas-Bertolini , Eric A. J. Reits , Ron A. Hoebe , Przemek M. Krawczyk

The diffraction of light imposes a fundamental limit on the resolution of light microscopes. This limit can be circumvented by creating and exploiting independent behaviors of the sample at length scales below the diffraction limit. In…

Biological Physics · Physics 2024-06-19 Mohamadreza Fazel , Michael J. Wester

High-resolution structure determination by cryo-electron microscopy (cryo-EM) requires the accurate fitting of an atomic model into an experimental density map. Traditional refinement pipelines such as Phenix.real_space_refine and Rosetta…

Biomolecules · Quantitative Biology 2026-03-10 Fuyao Huang , Xiaozhu Yu , Kui Xu , Qiangfeng Cliff Zhang

We present a fast and user friendly exoplanet transit light curve modelling package PyTransit, implementing optimised versions of the Gimen\'ez and the Mandel & Agol transit models. The package offers an object-oriented Python interface to…

Earth and Planetary Astrophysics · Physics 2015-04-29 Hannu Parviainen

\textsc{Pykat} is a Python package which extends the popular optical interferometer modelling software \textsc{Finesse}. It provides a more modern and efficient user interface for conducting complex numerical simulations, as well as…

Instrumentation and Methods for Astrophysics · Physics 2020-04-16 Daniel D. Brown , Philip Jones , Samuel Rowlinson , Andreas Freise , Sean Leavey , Anna C. Green , Daniel Toyra

The success of deep learning in supervised fine-grained recognition for domain-specific tasks relies heavily on expert annotations. The Open-Set for fine-grained Self-Supervised Learning (SSL) problem aims to enhance performance on…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Prajwal Singh , Gautam Vashishtha , Indra Deep Mastan , Shanmuganathan Raman

As data are generated more and more from multiple disparate sources, multiview data sets, where each sample has features in distinct views, have ballooned in recent years. However, no comprehensive package exists that enables…

Deep Frequency Modulation Interferometry (DFMI) is an emerging laser interferometry technique for high-precision metrology, offering picometer-level displacement measurements and the potential for absolute length determination with…

Instrumentation and Detectors · Physics 2025-11-21 Miguel Dovale-Álvarez

Concomitant amplified spontaneous emission (ASE) and F\"orster resonance energy transfer (FRET) are investigated in electrospun light-emitting fibers. Upon dye-doping with a proper FRET couple system, free-standing fibrous mats exhibit…

We present the open-source image processing software package PySAP (Python Sparse data Analysis Package) developed for the COmpressed Sensing for Magnetic resonance Imaging and Cosmology (COSMIC) project. This package provides a set of…

Instrumentation and Methods for Astrophysics · Physics 2020-07-03 S. Farrens , A. Grigis , L. El Gueddari , Z. Ramzi , Chaithya G. R. , S. Starck , B. Sarthou , H. Cherkaoui , P. Ciuciu , J. -L. Starck

Integrated information theory provides a mathematical framework to fully characterize the cause-effect structure of a physical system. Here, we introduce PyPhi, a Python software package that implements this framework for causal analysis…

Neurons and Cognition · Quantitative Biology 2018-08-16 William G. P. Mayner , William Marshall , Larissa Albantakis , Graham Findlay , Robert Marchman , Giulio Tononi

Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several conditions -- for example, with various mutations or bound…

Biomolecules · Quantitative Biology 2025-01-07 Martin Vögele , Neil J. Thomson , Sang T. Truong , Jasper McAvity , Ulrich Zachariae , Ron O. Dror

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…

Stellar abundance analysis relies on flexible, high-performance spectral synthesis. To meet these needs, we present PySME v1.0, an updated Python implementation of Spectroscopy Made Easy (SME) designed for precise and survey-scale modelling…

Instrumentation and Methods for Astrophysics · Physics 2026-05-12 Mingjie Jian , Nikolai Piskunov , Jeff Valenti , Ella Xi Wang , Brian Thorsbro , Henrik Jönsson , Ansgar Wehrhahn

Running complex sets of machine learning experiments is challenging and time-consuming due to the lack of a unified framework. This leaves researchers forced to spend time implementing necessary features such as parallelization, caching,…

Machine Learning · Computer Science 2023-11-22 Zac Pullar-Strecker , Xinglong Chang , Liam Brydon , Ioannis Ziogas , Katharina Dost , Jörg Wicker

Free energy perturbation (FEP) is frequently used to evaluate the free energy change of a biological process, e.g. the drug binding free energy or the ligand solvation free energy. Due to the sampling inefficiency, FEP is often employed…

Chemical Physics · Physics 2017-01-31 Ying-Chih Chiang , Frank Otto

Using the Monte Carlo ray tracing package McStas, we illustrate the possibilities of creating virtual experiments of the neutron spectrometer BIFROST at the European Spallation Source, ESS. With this model, we are able to benchmark BIFROST…

Instrumentation and Detectors · Physics 2025-12-24 Kristine M. L. Krighaar , Silas B. Schack , Nicolai L. Amin , Gregory S. Tucker , Rasmus Toft-Petersen , Kim Lefmann