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SCALES (Slicer Combined with Array of Lenslets for Exoplanet Spectroscopy) is a 2 - 5 micron high-contrast lenslet-based integral field spectrograph (IFS) designed to characterize exoplanets and their atmospheres. The SCALES…
The advantage of having a high-fidelity instrument simulation tool developed in tandem with novel instrumentation is having the ability to investigate, in isolation and in combination, the wide parameter space set by the instrument design.…
We present MARFA (Molecular atmospheric Absorption with Rapid and Flexible Analysis) -- an open-source line-by-line tool for calculating absorption coefficients and cross-sections in planetary atmospheres, particularly under conditions of…
The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest…
Resonant lines are powerful probes of the interstellar and circumgalactic medium of galaxies. Their transfer in gas being a complex process, the interpretation of their observational signatures, either in absorption or in emission, is often…
In many applications, such as physiology and finance, large time series data bases are to be analyzed requiring the computation of linear, nonlinear and other measures. Such measures have been developed and implemented in commercial and…
We present msmJAX, a Python package implementing the multilevel summation method with B-spline interpolation, a linear-scaling algorithm for efficiently evaluating electrostatic and other long-range interactions in particle-based…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…
We create the first large-scale mock spectroscopic survey of gas absorption sightlines traversing the interstellar medium (ISM), circumgalactic medium (CGM), and intergalactic medium (IGM) surrounding galaxies of virtual Universes. That is,…
One of the principal bottlenecks to atmosphere characterisation in the era of all-sky surveys is the availability of fast, autonomous and robust atmospheric retrieval methods. We present a new approach using unsupervised machine learning to…
Singular spectrum analysis (SSA) as a nonparametric tool for decomposition of an observed time series into sum of interpretable components such as trend, oscillations and noise is considered. The separability of these series components by…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
Modules for Experiments in Stellar Astrophysics (MESA; (Paxton2011, 2013, 2015, 2018, 2019, Jermyn 2023) is a widely used open-source software for modelling stellar evolution. In many studies, the computational grids covers thousands of…
Monte Carlo (MC) simulation includes a wide range of stochastic techniques used to quantitatively evaluate the behavior of complex systems or processes. Microsoft Excel spreadsheets with Visual Basic for Applications (VBA) software is,…
The MAterials Simulation Toolkit (MAST) is a workflow manager and post-processing tool for ab initio defect and diffusion workflows. MAST codifies research knowledge and best practices for such workflows, and allows for the generation and…
We present a new, fast, and easy to use tool for modelling light and radial velocity curves of close eclipsing binaries with built-in methods for solving an inverse problem. The main goal of ELISa (Eclipsing binary Learning and Interactive…
We present a convenient tool (ChaSES) which allows to search for extended structures in Chandra X-ray Observatory Advanced CCD Imaging Spectrometer (ACIS) images. The tool relies on DBSCAN clustering algorithm to detect regions with…
Spectral lines from interstellar molecules provide crucial insights into the physical and chemical conditions of the interstellar medium. Traditional spectral line analysis relies heavily on manual intervention, which becomes impractical…
MSstatsQC [3] is an open-source software that provides longitudinal system suitability monitoring tools in the form of control charts for proteomic experiments. It includes simultaneous tools for the mean and dispersion of suitability…
Small angle X-ray scattering (SAXS) is extensively used in materials science as a way of examining nanostructures. The analysis of experimental SAXS data involves mapping a rather simple data format to a vast amount of structural models.…