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Compound AI applications, which compose calls to ML models using a general-purpose programming language like Python, are widely used for a variety of user-facing tasks, from software engineering to enterprise automation, making their…
We present an open-source Thermochemical Equilibrium Abundances (TEA) code that calculates the abundances of gaseous molecular species. The code is based on the methodology of White et al. (1958) and Eriksson (1971). It applies Gibbs…
DADApy is a python software package for analysing and characterising high-dimensional data manifolds. It provides methods for estimating the intrinsic dimension and the probability density, for performing density-based clustering and for…
Microwave Imaging is an essential technique for reconstructing the electrical properties of an inaccessible medium. Many approaches have been proposed employing algorithms to solve the Electromagnetic Inverse Scattering Problem associated…
Shape-constrained nonparametric regression is a growing area in econometrics, statistics, operations research, machine learning and related fields. In the field of productivity and efficiency analysis, recent developments in the…
Hybrid semiconductor pixelated detectors from the Timepix family are advanced detectors for online particle tracking, offering energy measurement and precise time stamping capabilities for particles of various types and energies. This…
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…
Machine learning potentials are an important tool for molecular simulation, but their development is held back by a shortage of high quality datasets to train them on. We describe the SPICE dataset, a new quantum chemistry dataset for…
Stellar abundance analysis relies on flexible, high-performance spectral synthesis. To meet these needs, we present PySME v1.0, an updated Python implementation of Spectroscopy Made Easy (SME) designed for precise and survey-scale modelling…
The direct detection and characterization of planetary and substellar companions at small angular separations is a rapidly advancing field. Dedicated high-contrast imaging instruments deliver unprecedented sensitivity, enabling detailed…
Dependency bloat is a persistent challenge in Python projects, which increases maintenance costs and security risks. While numerous tools exist for detecting unused dependencies in Python, removing these dependencies across the source code…
The absorption and emission of light by exoplanet atmospheres encode details of atmospheric composition, temperature, and dynamics. Fundamentally, simulating these processes requires detailed knowledge of the opacity of gases within an…
The NTMpy code package allows for simulating the one-dimensional thermal response of multilayer samples after optical excitation, as in a typical pump-probe experiment. Several Python routines are combined and optimized to solve coupled…
Spectropolarimetry, the observation of polarization and intensity as a function of wavelength, is a powerful tool in stellar astrophysics. It is particularly useful for characterizing stars and circumstellar material, and for tracing the…
Determining molecular abundances in astrophysical environments is crucial for interpreting observational data and constraining physical conditions in these regions. Chemical modelling tools are essential for simulating the complex processes…
CompHEP is a package for automatic calculations of elementary particle decay and collision properties in the lowest order of perturbation theory (the tree approximation). The main idea prescribed into the CompHEP is to make available…
ESCAPE is a free python package and framework for creating applications for simulating and fitting of X-ray and neutron scattering data with current support for specular reflectivity, polarized neutron reflectometry, high resolution X-ray…
Byte-Pair Encoding (BPE) has become a widely adopted subword tokenization method in modern language models due to its simplicity and strong empirical performance across downstream tasks. However, applying BPE to unsegmented languages such…
Motivation: Peptides have attracted the attention in this century due to their remarkable therapeutic properties. Computational tools are being developed to take advantage of existing information, encapsulating knowledge and making it…
NIFTy, "Numerical Information Field Theory", is a software framework designed to ease the development and implementation of field inference algorithms. Field equations are formulated independently of the underlying spatial geometry allowing…