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We present a new open source python package, based on PyLightcurve and PyTorch, tailored for efficient computation and automatic differentiation of exoplanetary transits. The classes and functions implemented are fully vectorised, natively…

Earth and Planetary Astrophysics · Physics 2021-03-24 Mario Morvan , Angelos Tsiaras , Nikolaos Nikolaou , Ingo P. Waldmann

PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…

Computational Physics · Physics 2025-04-18 Adalberto Perez , Siavash Toosi , Tim Felle Olsen , Stefano Markidis , Philipp Schlatter

"exoplanet" is a toolkit for probabilistic modeling of astronomical time series data, with a focus on observations of exoplanets, using PyMC3 (Salvatier et al., 2016). PyMC3 is a flexible and high-performance model-building language and…

We present PyXtal, a new package based on the Python programming language, used to generate structures with specific symmetry and chemical compositions for both atomic and molecular systems. This soft ware provides support for various…

Materials Science · Physics 2021-10-05 Scott Fredericks , Kevin Parrish , Dean Sayre , Qiang Zhu

A new line list for H$_2$$^{16}$O is presented. This line list, which is called POKAZATEL, includes transitions between rotation-vibrational energy levels up to 41000 cm$^{-1}$ in energy and is the most complete to date. The potential…

Earth and Planetary Astrophysics · Physics 2018-08-21 Oleg L. Polyansky , Aleksandra A. Kyuberis , Nikolai F. Zobov , Jonathan Tennyson , Sergei N. Yurchenko , Lorenzo Lodi

We present Exo-Transmit, a software package to calculate exoplanet transmission spectra for planets of varied composition. The code is designed to generate spectra of planets with a wide range of atmospheric composition, temperature,…

Earth and Planetary Astrophysics · Physics 2017-03-22 Eliza M. -R. Kempton , Roxana E. Lupu , Albert Owusu-Asare , Patrick Slough , Bryson Cale

Research into the processes of photoionised nebulae plays a significant part in our understanding of stellar evolution. It is extremely difficult to visually represent or model ionised nebula, requiring astronomers to employ sophisticated…

Instrumentation and Methods for Astrophysics · Physics 2020-05-26 K. Fitzgerald , E. J Harvey , N. Keaveney , M. Redman

A publicly available database of opacities for molecules of astrophysical interest, ExoMolOP, has been compiled for over 80 species, based on the latest line list data from the ExoMol, HITEMP and MoLLIST databases. These data are generally…

We introduce the STAR-MELT Python package that we developed to facilitate the analysis of time-resolved emission line spectroscopy of young stellar objects. STAR-MELT automatically extracts, identifies and fits emission lines. We summarise…

We introduce a Python framework designed to automate the most common tasks associated with the extraction and upscaling of the statistics of single-impact crater functions to inform coefficients of continuum equations describing surface…

Computational Physics · Physics 2014-10-31 Scott A. Norris

We present CONAN (COde for exoplaNet ANalysis), an open-source Python package for comprehensive analyses of exoplanetary systems. It provides a unified Bayesian framework to simultaneously analyze diverse exoplanet datasets to derive global…

Instrumentation and Methods for Astrophysics · Physics 2025-08-29 Babatunde Akinsanmi , Monika Lendl , Andreas Krenn

Molecular line-transition lists are an essential ingredient for radiative-transfer calculations. With recent databases now surpassing the billion-lines mark, handling them has become computationally prohibitive, due to both the required…

Earth and Planetary Astrophysics · Physics 2017-11-29 Patricio Cubillos

Comprehensive line lists for phosphorus monoxide ($^{31}$P$^{16}$O) and phosphorus monosulphide ($^{31}$P$^{32}$S) in their $X$ $^2\Pi$ electronic ground state are presented. The line lists are based on new ab initio potential energy (PEC),…

Solar and Stellar Astrophysics · Physics 2017-09-12 Laxmi Prajapat , Pawel Jagoda , Lorenzo Lodi , Maire N. Gorman , Sergei N. Yurchenko , Jonathan Tennyson

ePSproc provides codes for post-processing results from ePolyScat (ePS), a suite of codes for the calculation of quantum scattering problems, developed and released by Luchesse \& co-workers (Gianturco et al. 1994)(Natalense and Lucchese…

Computational Physics · Physics 2016-11-15 Paul Hockett

A rovibronic line list for the ground ($X$ $^3\Sigma^-$) and first excited ($a$ $^1\Delta$) states of phosphinidene, $^{31}$PH, is computed. The line list is designed for studies of exoplanetary and cool stellar atmospheres with…

Earth and Planetary Astrophysics · Physics 2019-07-17 Jonathan Langleben , Jonathan Tennyson , Sergei N. Yurchenko , Peter Bernath

Accurate line lists are calculated for aluminium monoxide covering the pure rotation, rotation-vibration and electronic (B -- X blue-green and A -- X infrared bands) spectrum. Line lists are presented for the main isotopologue,…

Astrophysics of Galaxies · Physics 2015-04-14 Andrei T. Patrascu , Sergei N. Yurchenko , Jonathan Tennyson

Developing complex biomolecular workflows is not always straightforward. It requires tedious developments to enable the interoperability between the different biomolecular simulation and analysis tools. Moreover, the need to execute the…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-12-20 Jorge Ejarque , Pau Andrio , Adam Hospital , Javier Conejero , Daniele Lezzi , Josep LL. Gelpi , Rosa M. Badia

I present a fast Python tool, SpectRes, for carrying out the resampling of spectral flux densities and their associated uncertainties onto different wavelength grids. The function works with any grid of wavelength values, including…

Instrumentation and Methods for Astrophysics · Physics 2017-05-16 A. C. Carnall

Understanding electron drift and diffusion in gases and gas mixtures is a topic of central importance for the development of modern particle detection instrumentation. The industry-standard MagBoltz code has become an invaluable tool during…

Instrumentation and Detectors · Physics 2022-12-02 B. Al Atoum , S. F. Biagi , D. Gonzalez-Diaz , B. J. P Jones , A. D. McDonald

Motivation: Accurate detection of sequence similarity and homologous recombination are essential parts of many evolutionary analyses. Results: We have developed SimPlot++, an open-source multiplatform application implemented in Python,…

Quantitative Methods · Quantitative Biology 2022-04-14 Stéphane Samson , Étienne Lord , Vladimir Makarenkov