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First-principles computational spectroscopy is a critical tool for interpreting experiment, performing structure refinement, and developing new physical understanding. Systematically setting up input files for different simulation codes and…

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…

天体物理仪器与方法 · 物理学 2019-05-14 Will Handley

Summary: heatmaply is an R package for easily creating interactive cluster heatmaps that can be shared online as a stand-alone HTML file. Interactivity includes a tooltip display of values when hovering over cells, as well as the ability to…

定量方法 · 定量生物学 2019-11-07 Tal Galili , Alan OCallaghan , Jonathan Sidi , Carson Sievert

Vector graphic documents present multiple visual elements, such as images, shapes, and texts. Choosing appropriate colors for multiple visual elements is a difficult but crucial task for both amateurs and professional designers. Instead of…

计算机视觉与模式识别 · 计算机科学 2022-09-23 Qianru Qiu , Xueting Wang , Mayu Otani , Yuki Iwazaki

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…

Combinatorial experiments involve synthesis of sample libraries with lateral composition gradients requiring spatially-resolved characterization of structure and properties. Due to maturation of combinatorial methods and their successful…

We aim at facilitating the visualization of astrophysical data for several tasks, such as uncovering patterns, presenting results to the community, and facilitating the understanding of complex physical relationships to the public. We…

天体物理仪器与方法 · 物理学 2024-04-01 PASTA Collaboration , N. Borghi , E. Ceccarelli , A. Della Croce , L. Leuzzi , L. Rosignoli , A. Traina

Choropleth maps, which utilize color schemes to visualize spatial patterns and trends, are simple yet effective tools for geographic data analysis. As such, color scheme design is a critical aspect of choropleth map creation. The…

人机交互 · 计算机科学 2025-03-21 Nai Yang , Yijie Wang , Fan Wu , Zhiwei Wei

ConsumerCheck is an open source data analysis software tailored for analysis of sensory and consumer data. Since some of the implemented methods are generic, such as PCA, PLSR and PCR, other data from other domains may also be analysed with…

人机交互 · 计算机科学 2022-01-12 Oliver Tomic , Alexandra Kuznetsova , Per Bruun Brockhoff , Thomas Graff , Tormod Næs

TextDescriptives is a Python package for calculating a large variety of metrics from text. It is built on top of spaCy and can be easily integrated into existing workflows. The package has already been used for analysing the linguistic…

计算与语言 · 计算机科学 2023-10-30 Lasse Hansen , Ludvig Renbo Olsen , Kenneth Enevoldsen

LevelScheme is a scientific figure preparation system for Mathematica. The main emphasis is upon the construction of level schemes, or level energy diagrams, as used in nuclear, atomic, molecular, and hadronic physics. LevelScheme also…

计算物理 · 物理学 2007-05-23 M. A. Caprio

We present the first public version of SImMER, an open-source Python reduction pipeline for astronomical images of point sources. Current capabilities include dark-subtraction, flat-fielding, sky-subtraction, image registration, FWHM…

天体物理仪器与方法 · 物理学 2022-12-28 Arjun B. Savel , Lea A. Hirsch , Holden Gill , Courtney D. Dressing , David R. Ciardi

pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…

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…

计算物理 · 物理学 2025-03-18 Patrick Müller , Wilfried Nörtershäuser

This work introduces a new software package `Sesame' for the numerical computation of classical semiconductor equations. It supports 1 and 2-dimensional systems and provides tools to easily implement extended defects such as grain…

应用物理 · 物理学 2019-05-01 Benoit Gaury , Yubo Sun , Peter Bermel , Paul M. Haney

Categorical data, wherein a numerical quantity is assigned to each category (nominal variable), are ubiquitous in data science. A palette diagram is a visualization tool for a large number of categorical datasets, each comprising several…

数据库 · 计算机科学 2020-11-05 Chihiro Noguchi , Tatsuro Kawamoto

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…

pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…

定量方法 · 定量生物学 2022-05-05 David E. Graff , Connor W. Coley

Image harmonization targets at adjusting the foreground in a composite image to make it compatible with the background, producing a more realistic and harmonious image. Training deep image harmonization network requires abundant training…

计算机视觉与模式识别 · 计算机科学 2022-06-03 Haoxu Huang , Li Niu

Many colour maps provided by vendors have highly uneven perceptual contrast over their range. It is not uncommon for colour maps to have perceptual flat spots that can hide a feature as large as one tenth of the total data range. Colour…

图形学 · 计算机科学 2015-09-15 Peter Kovesi