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Many modern cheminformatics workflows derive datasets from ChEMBL, but few of these datasets are published with accompanying code for their generation. Consequently, their methodologies (e.g., selection, filtering, aggregation) are opaque,…
We present ProFit, a new code for Bayesian two-dimensional photometric galaxy profile modelling. ProFit consists of a low-level C++ library (libprofit), accessible via a command-line interface and documented API, along with high-level R…
XRISM (X-Ray Imaging and Spectroscopy Mission), with the Resolve high-resolution spectrometer and the Xtend wide-field imager on-board, is designed to build on the successes of the abbreviated Hitomi mission to address outstanding…
This report summarizes the work of the Computational Frontier topical group on end user analysis for Snowmass 2021. End User Analysis refers to the extraction of physics results from reconstructed and simulated experimental data. High…
A new, modular toolkit for creating simulations of 2D X-ray pixel detectors, X-CSIT (X-ray Camera SImulation Toolkit), is being developed. The toolkit uses three sequential simulations of detector processes which model photon interactions,…
We present Open-CD, a change detection toolbox that contains a rich set of change detection methods as well as related components and modules. The toolbox started from a series of open source general vision task tools, including OpenMMLab…
PetroFit is an open-source Python package, based on Astropy and Photutils, that can calculate Petrosian profiles and fit galaxy images. It offers end-to-end tools for making accurate photometric measurements, estimating morphological…
As Transformers are increasingly relied upon to solve complex NLP problems, there is an increased need for their decisions to be humanly interpretable. While several explainable AI (XAI) techniques for interpreting the outputs of…
Studying facial expressions is a notoriously difficult endeavor. Recent advances in the field of affective computing have yielded impressive progress in automatically detecting facial expressions from pictures and videos. However, much of…
Today's most advanced machine-learning models are hardly scrutable. The key challenge for explainability methods is to help assisting researchers in opening up these black boxes, by revealing the strategy that led to a given decision, by…
We introduce torchbearer, a model fitting library for pytorch aimed at researchers working on deep learning or differentiable programming. The torchbearer library provides a high level metric and callback API that can be used for a wide…
Despite the fact that computational fluid dynamics (CFD) software is now (relatively) fast and freely available, it is still amazingly difficult to use. Inaccessible software imposes a significant entry barrier on students and junior…
In today's modern wide-field galaxy surveys, there is the necessity for parametric surface brightness decomposition codes characterised by accuracy, small degree of user intervention, and high degree of parallelisation. We try to address…
We present version 2 of QuTiP, the Quantum Toolbox in Python. Compared to the preceding version [Comput. Phys. Comm. 183 (2012) 1760], we have introduced numerous new features, enhanced performance, made changes in the Application…
We sketch recent progress and promising future directions for research connected with the strong CP problem. Topics surveyed include axion dark matter substructure and its gravitational detection; axion model building and the quality…
X-ray fluorescence computed tomography (XFCT) is a molecular imaging technique of x-ray photons, which can be used to sense different elements or nanoparticle (NP) agents inside deep samples or tissues. XFCT has been an active research…
$\texttt{HEPfit}$ is a flexible open-source tool which, given the Standard Model or any of its extensions, allows to $\textit{i)}$ fit the model parameters to a given set of experimental observables; $\textit{ii)}$ obtain predictions for…
We comprehensively analyse the cosmology dependence of counts-in-cell statistics. We focus on the shape of the one-point probability distribution function (PDF) of the matter density field at mildly nonlinear scales. Based on…
Progress in natural language processing research is catalyzed by the possibilities given by the widespread software frameworks. This paper introduces Adaptor library that transposes the traditional model-centric approach composed of…
Yggdrasil Decision Forests is a library for the training, serving and interpretation of decision forest models, targeted both at research and production work, implemented in C++, and available in C++, command line interface, Python (under…