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anesthetic is a Python package for processing nested sampling runs, and will be useful for any scientist or statistician who uses nested sampling software. anesthetic unifies many existing tools and techniques in an extensible framework…
We introduce the Contour Analysis Tool (CAT), a Python toolkit aimed at identifying and analyzing structural elements in density maps. CAT employs various contouring techniques, including the lowest-closed contour (LCC), linear and…
AOtools is a Python package which is open-source and aimed at providing tools for adaptive optics users and researchers. We present version 1.0 which contains tools for adaptive optics processing, including analysing data in the pupil…
Stellar spectral classification according to the Morgan-Keenan (MK) system remains fundamental to astrophysical studies, yet modern surveys require automated, scalable tools. We present NutMaat, an open-source Python-based package inspired…
We introduce NetworKit, an open-source software package for analyzing the structure of large complex networks. Appropriate algorithmic solutions are required to handle increasingly common large graph data sets containing up to billions of…
Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…
Prompt tuning, like CoOp, has recently shown promising vision recognizing and transfer learning ability on various downstream tasks with the emergence of large pre-trained vision-language models like CLIP. However, we identify that existing…
Machine learning techniques are being increasingly applied in medical and physical sciences across a variety of imaging modalities; however, an important issue when developing these tools is the availability of good quality training data.…
Tensors naturally model many real world processes which generate multi-aspect data. Such processes appear in many different research disciplines, e.g, chemometrics, computer vision, psychometrics and neuroimaging analysis. Tensor…
The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…
We present MOGPTK, a Python package for multi-channel data modelling using Gaussian processes (GP). The aim of this toolkit is to make multi-output GP (MOGP) models accessible to researchers, data scientists, and practitioners alike. MOGPTK…
Quantum software tools for a wide variety of design tasks on and across different levels of abstraction are crucial in order to eventually realize useful quantum applications. This requires practical and relevant benchmarks for new software…
The analysis of complex multiphysics astrophysical simulations presents a unique and rapidly growing set of challenges: reproducibility, parallelization, and vast increases in data size and complexity chief among them. In order to meet…
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or…
The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…
xBIT is a tool for performing parameter scans in beyond the Standard Model theories. It's written in Python and fully open source. The main purpose of xBIT is to provide an easy to use tool to help phenomenologists with their daily task:…
nimCSO is a high-performance tool implementing several methods for selecting components (data dimensions) in compositional datasets, which optimize the data availability and density for applications such as machine learning. Making said…
In recent years, numerical simulations have become indispensable for addressing complex astrophysical problems. The MagnetoHydroDynamics (MHD) framework represents a key tool for investigating the dynamical evolution of astrophysical…
Python data science libraries such as Pandas and NumPy have recently gained immense popularity. Although these libraries are feature-rich and easy to use, their scalability limitations require more robust computational resources. In this…
The diverse spectrum of material characteristics including band gap, mechanical moduli, color, phonon and electronic density of states, along with catalytic and surface properties are intricately intertwined with the atomic structure and…