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Synthesizer is a fast, flexible, modular, and extensible Python package that empowers astronomers to turn theoretical galaxy models into realistic synthetic observations - including spectra, photometry, images, and spectral cubes - with a…
Developers in data science and other domains frequently use computational notebooks to create exploratory analyses and prototype models. However, they often struggle to incorporate existing software engineering tooling into these…
Machine learning has rapidly advanced the design and discovery of new materials with targeted applications in various systems. First-principles calculations and other computer experiments have been integrated into material design pipelines…
We introduce Synapse motivated by the needs to estimate and emulate workload execution characteristics on high-performance and distributed heterogeneous resources. Synapse has a platform independent application profiler, and the ability to…
Small-angle neutron scattering (SANS) is a powerful technique for probing the nanoscale structure of materials. However, the fundamental limitations of neutron flux pose significant challenges for rapid, high-fidelity data acquisition…
Jupyter Notebooks have become a mainstream tool for interactive computing in every field of science. Jupyter Notebooks are suitable as companion applications for Science Gateways, providing more flexibility and post-processing capability to…
X-ray scattering patterns from emerging single particle experiments have commonly many missing or contaminated pixels. This complicates different analyses including projections on Fourier or other basis functions (for noise suppression,…
We present SPEAR, an open-source python library for data programming with semi supervision. The package implements several recent data programming approaches including facility to programmatically label and build training data. SPEAR…
FLAC is a program to calculate the small-angle neutron scattering intensity of highly packed polydisperse systems of neutral or charged hard spheres within the Percus-Yevick and the Mean Spherical Approximation closures, respectively. The…
A reliable and user-friendly characterisation of nano-objects in a target material is presented here in the form of a software data analysis package for interpreting small-angle X-ray scattering (SAXS) patterns. When provided with data on…
The ultimate goal of the observation of nonthermal emission from astrophysical sources is to understand the underlying particle acceleration and evolution processes, and few tools are publicly available to infer the particle distribution…
The scattering cancellation technique is a powerful tool to reduce the scattered field from electrically small objects in a specific frequency window. The technique relies on covering the object of interest with a shell that scatters light…
We describe a very compact (0.9 m high, 0.4 m diameter, 40 kg) battery operable neutron scatter camera designed for field deployment. Unlike most other systems, the configuration of the sixteen liquid-scintillator detection cells are…
Despite the promise of Neural Posterior Estimation (NPE) methods in astronomy, the adaptation of NPE into the routine inference workflow has been slow. We identify three critical issues: the need for custom featurizer networks tailored to…
Small-Angle Scattering (SAS) investigates structures in samples that generally range from approximately 0.5 nm to a few 100 nm. This can both be done for isotropic samples such as blends and liquids, as well as anisotropic samples such as…
Introductory Computer Science classes are important for laying the foundation for advanced programming courses. However, students without prior programming experience may find these courses challenging, leading to difficulties in…
Here we present the first open-source radiative transfer model for computing the reflected light of exoplanets at any phase geometry, called PICASO: Planetary Intensity Code for Atmospheric Scattering Observations. This code, written in…
Interpretation of vibrational inelastic neutron scattering spectra of complex systems is frequently reliant on accompanying simulations from theoretical models. Ab-initio codes can routinely generate force constants, but additional steps…
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…
We present PyOECP, a Python-based flexible open-source software for estimating and modeling the complex permittivity obtained from the open-ended coaxial probe (OECP) technique. The transformation of the measured reflection coefficient to…