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We present an overview of Sherpa, an open source Python project, and discuss its development history, broad design concepts and capabilities. Sherpa contains powerful tools for combining parametric models into complex expressions that can…

A Materials Project based open-source Python tool, MPInterfaces, has been developed to automate the high-throughput computational screening and study of interfacial systems. The framework encompasses creation and manipulation of interface…

Hyperspectral imaging (HSI) allows researchers to study plant traits non-destructively. By capturing hundreds of narrow spectral bands per pixel, it reveals details about plant biochemistry and stress that standard cameras miss. However,…

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We introduce giotto-tda, a Python library that integrates high-performance topological data analysis with machine learning via a scikit-learn-compatible API and state-of-the-art C++ implementations. The library's ability to handle various…

TorchOptics is an open-source Python library for differentiable Fourier optics simulations, developed using PyTorch to enable GPU-accelerated tensor computations and automatic differentiation. It provides a comprehensive framework for…

Optics · Physics 2024-11-28 Matthew J. Filipovich , A. I. Lvovsky

SBcoyote is an open-source cross-platform biochemical reaction viewer and editor released under the liberal MIT license. It is written in Python and uses wxPython to implement the GUI and the drawing canvas. It supports the visualization…

Quantitative Methods · Quantitative Biology 2024-02-14 Jin Xu , Gary Geng , Nhan D. Nguyen , Carmen Perena-Cortes , Claire Samuels , Herbert M. Sauro

PHYSBO (optimization tools for PHYSics based on Bayesian Optimization) is a Python library for fast and scalable Bayesian optimization. It has been developed mainly for application in the basic sciences such as physics and materials…

Computational Physics · Physics 2022-05-26 Yuichi Motoyama , Ryo Tamura , Kazuyoshi Yoshimi , Kei Terayama , Tsuyoshi Ueno , Koji Tsuda

Small and wide angle x-ray scattering tensor tomography are powerful methods for studying anisotropic nanostructures in a volume-resolved manner, and are becoming increasingly available to users of synchrotron facilities. The analysis of…

Materials Science · Physics 2025-04-24 Leonard C. Nielsen , Mads Carlsen , Sici Wang , Arthur Baroni , Torne Tänzer , Marianne Liebi , Paul Erhart

The library scikit-fda is a Python package for Functional Data Analysis (FDA). It provides a comprehensive set of tools for representation, preprocessing, and exploratory analysis of functional data. The library is built upon and integrated…

This paper proposes an open source visual analytics tool consisting of several views and perspectives on eye movement data collected during code reading tasks when writing computer programs. Hence the focus of this work is on code and…

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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…

We present DEIMoS: Data Extraction for Integrated Multidimensional Spectrometry, a Python application programming interface (API) and command-line tool for high-dimensional mass spectrometry data analysis workflows that offers ease of…

Organizations have realized the importance of data analysis and its benefits. This in combination with Machine Learning algorithms has allowed to solve problems more easily, making these processes less time-consuming. Neural networks are…

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Recent advances in computing hardware and modeling software have given rise to new applications for numerical optimization. These new applications occasionally uncover bottlenecks in existing optimization algorithms and necessitate further…

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Visibility is a fundamental concept in computational geometry, with numerous applications in surveillance, robotics, and games. This software paper presents T\v{r}iVis, a C++ library developed by the authors for computing numerous…

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We are currently developing an innovative and visually-driven programming language called Omega.Although the Omega code is stored in text files, these files are not intended for manual editing or traditional printing.Furthermore, parsing…

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PyPose is an open-source library for robot learning. It combines a learning-based approach with physics-based optimization, which enables seamless end-to-end robot learning. It has been used in many tasks due to its meticulously designed…

Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…

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MatchingTools is a Python library for doing symbolic calculations in effective field theory. It provides the tools to construct general models by defining their field content and their interaction Lagrangian. Once a model is given, the…

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With the increased availability of rich tactile sensors, there is an equally proportional need for open-source and integrated software capable of efficiently and effectively processing raw touch measurements into high-level signals that can…

Robotics · Computer Science 2021-05-28 Mike Lambeta , Huazhe Xu , Jingwei Xu , Po-Wei Chou , Shaoxiong Wang , Trevor Darrell , Roberto Calandra