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Mixture models are powerful statistical models used in many applications ranging from density estimation to clustering and classification. When dealing with mixture models, there are many issues that the experimenter should be aware of and…
Molecular dynamics (MD) simulations allow the exploration of the phase space of biopolymers through the integration of equations of motion of their constituent atoms. The analysis of MD trajectories often relies on the choice of collective…
This paper describes a novel Python package, named causalgraph, for modeling and saving causal graphs embedded in knowledge graphs. The package has been designed to provide an interface between causal disciplines such as causal discovery…
The design of gaseous detectors for accelerator, particle and nuclear physics requires simulations relying on multi-physics aspects. In fact, these simulations deal with the dynamics of a large number of charged particles interacting in a…
Machine learning (ML) models for predicting gas permeability through polymers have traditionally relied on experimental data. While these models exhibit robustness within familiar chemical domains, reliability wanes when applied to new…
We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it…
Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python…
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…
Spectral line observations are an indispensable tool to remotely probe the physical and chemical conditions throughout the universe. Modelling their behaviour is a computational challenge that requires dedicated software. In this paper, we…
IGUANA is a generic interactive visualisation framework based on a C++ component model. It provides powerful user interface and visualisation primitives in a way that is not tied to any particular physics experiment or detector design. The…
GEANT4 is a particle physics simulation tool used to develop and optimize radiation detectors. While C++ based examples exist, Python's growing popularity necessitates the development of a more accessible Python bindings interface. This…
We present the first public release (v0.1) of the open-source GADGET Dataframe Library: gadfly. The aim of this package is to leverage the capabilities of the broader python scientific computing ecosystem by providing tools for analyzing…
For the successful design and operation of gas based particle detectors, one needs a good understanding of the drift properties of the deployed gas. This includes the drift velocity of electrons, their diffusion and the gas amplification in…
Sketching out Graphical User Interface (GUI) layout is part of the pipeline of designing a GUI and a crucial task for the success of a software application. Arranging all components inside a GUI layout manually is a time-consuming task. In…
Graphene Oxide and reduced Graphene Oxide are intriguing materials for photonics and electronic devices both for intrinsic characteristics and as precursors for the synthesis of graphene. Whatever the application and the engineering…
The ALICE Collaboration at CERN developed a 3D visualisation tool capable of displaying a representation of collected collision data (particle trajectories, clusters and calorimeter towers) called the Event Display. The Event Display is…
In order to take advantage of the enormous potential of graphene for future electronic micro-circuits and other applications it is necessary to develop reliable, rapid and widely applicable methods to visualize graphene based structures. We…
\textsc{Pykat} is a Python package which extends the popular optical interferometer modelling software \textsc{Finesse}. It provides a more modern and efficient user interface for conducting complex numerical simulations, as well as…
Geoff is a collection of Python packages that form a framework for automation of particle accelerator controls. With particle accelerator laboratories around the world researching machine learning techniques to improve accelerator…
An open source software package for modelling thermal neutron transport is presented. The code facilitates Monte Carlo-based transport simulations and focuses in the initial release on interactions in both mosaic single crystals as well as…