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The open-source PyNX toolkit [Favre-Nicolin et al (2011) arXiv:1010.2641, Mandula et al (2016)] has been extended to provide tools for coherent X-ray imaging data analysis and simulation. All calculations can be executed on graphical…

PyMOLfold is a flexible and open-source plugin designed to seamlessly integrate AI-based protein structure prediction and visualization within the widely used PyMOL molecular graphics system. By leveraging state-of-the-art protein folding…

Biomolecules · Quantitative Biology 2025-02-04 Colby T. Ford , Samee Ullah , Dinler Amaral Antunes , Tarsis Gesteira Ferreira

The fields of astronomy and astrophysics are currently engaged in an unprecedented era of discovery as recent missions have revealed thousands of exoplanets orbiting other stars. While the Kepler Space Telescope mission has enabled most of…

Earth and Planetary Astrophysics · Physics 2017-12-27 Kevin H. Knuth , Ben Placek , Daniel Angerhausen , Jennifer L. Carter , Bryan D'Angelo , Anthony D. Gai , Bertrand Carado

Comparison of echelle spectra to synthetic models has become a computational statistics challenge, with over ten thousand individual spectral lines affecting a typical cool star echelle spectrum. Telluric artifacts, imperfect line lists,…

Instrumentation and Methods for Astrophysics · Physics 2023-01-04 Michael A. Gully-Santiago , Caroline V. Morley

Line lists for the ground electronic ground state for six major isotopologues of nitric oxide are presented. The line lists are constructed using empirical energy levels (and line positions) and high-level {\it ab inito} intensities. The…

Earth and Planetary Astrophysics · Physics 2017-06-28 Andy Wong , Sergei N. Yurchenko , Peter Bernath , Holger S. P. Müller , Stephanie McConkey , Jonathan Tennyson

PYROBOCOP is a Python-based package for control, optimization and estimation of robotic systems described by nonlinear Differential Algebraic Equations (DAEs). In particular, the package can handle systems with contacts that are described…

Robotics · Computer Science 2022-03-21 Arvind Raghunathan , Devesh K. Jha , Diego Romeres

We present a new software pipeline -- PyMorph -- for automated estimation of structural parameters of galaxies. Both parametric fits through a two dimensional bulge disk decomposition as well as structural parameter measurements like…

Instrumentation and Methods for Astrophysics · Physics 2015-05-19 Vinu Vikram , Yogesh Wadadekar , Ajit K. Kembhavi , G. V. Vijayagovindan

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…

To address the the problem of calibration of instrument systematics in transit light curves, we present the Python package ExoTiC-ISM. Transit spectroscopy can reveal many different chemical components in exoplanet atmospheres, but such…

Instrumentation and Methods for Astrophysics · Physics 2020-07-16 Iva Laginja , Hannah R. Wakeford

Hot line lists for two isotopologues of water, \octo\ and \heto, are presented. The calculations employ newly constructed potential energy surfaces (PES) which take advantage of a novel method for using the large set of experimental energy…

$\gamma$-ray pulsar halos, most likely formed by inverse Compton scattering of electrons and positrons propagating in the pulsar-surrounding interstellar medium with background photons, serve as an ideal probe for Galactic cosmic-ray…

High Energy Astrophysical Phenomena · Physics 2026-04-21 Kun Fang

The heterogeneity of papers dealing with the discovery and characterization of exoplanets makes every attempt to maintain a uniform exoplanet catalog almost impossible. Four sources currently available online (NASA Exoplanet Archive,…

Earth and Planetary Astrophysics · Physics 2020-02-06 Eleonora Alei , Riccardo Claudi , Andrea Bignamini , Marco Molinaro

We have built an open-source software system for the modeling of biomolecular reaction networks, SloppyCell, which is written in Python and makes substantial use of third-party libraries for numerics, visualization, and parallel…

Quantitative Methods · Quantitative Biology 2007-05-23 Christopher R. Myers , Ryan N. Gutenkunst , James. P. Sethna

As wide-field surveys yield ever more precise measurements, cosmology has entered a phase of high precision requiring highly accurate and fast theoretical predictions. At the heart of most cosmological model predictions is a numerical…

Cosmology and Nongalactic Astrophysics · Physics 2017-08-18 Alexandre Refregier , Lukas Gamper , Adam Amara , Lavinia Heisenberg

popclass is a python package that provides a flexible, probabilistic framework for classifying the lens of a gravitational microlensing event. popclass allows a user to match characteristics of a microlensing signal to a simulation of the…

Instrumentation and Methods for Astrophysics · Physics 2024-10-21 Greg Sallaberry , Zofia Kaczmarek , Peter McGill , Scott E. Perkins , William A. Dawson , Caitlin G. Begbie

Bayesian Networks (BNs) are used in various fields for modeling, prediction, and decision making. pgmpy is a python package that provides a collection of algorithms and tools to work with BNs and related models. It implements algorithms for…

Machine Learning · Computer Science 2023-04-19 Ankur Ankan , Johannes Textor

We present the Exoplanet Simple Orbit Fitting Toolbox (ExoSOFT), a new, open-source suite to fit the orbital elements of planetary or stellar mass companions to any combination of radial velocity and astrometric data. To explore the…

Instrumentation and Methods for Astrophysics · Physics 2017-11-13 Kyle Mede , Timothy D. Brandt

This paper describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit…

Mathematical Software · Computer Science 2023-12-20 Abhijit Chowdhary , Shady E. Ahmed , Ahmed Attia

Differential spectroscopy during exoplanet transits permits to reconstruct spectra of small stellar surface portions that successively become hidden behind the planet. The center-to-limb behavior of stellar line shapes, asymmetries and…

Solar and Stellar Astrophysics · Physics 2014-08-08 Dainis Dravins , Hans-Günter Ludwig , Erik Dahlén , Hiva Pazira

We introduce the first, general purpose, slice sampling inference engine for probabilistic programs. This engine is released as part of StocPy, a new Turing-Complete probabilistic programming language, available as a Python library. We…

Artificial Intelligence · Computer Science 2015-01-21 Razvan Ranca , Zoubin Ghahramani