Related papers: GooFit 2.0
In recent years graphical processing units (GPUs) have become a powerful tool in scientific computing. Their potential to speed up highly parallel applications brings the power of high performance computing to a wider range of users.…
We present version 2.0 of the Partial Exploration Tool (PET), a tool for verification of probabilistic systems. We extend the previous version by adding support for stochastic games, based on a recent unified framework for sound value…
GPUs are broadly used in I/O-intensive big data applications. Prior works demonstrate the benefits of using GPU-side file system layer, GPUfs, to improve the GPU performance and programmability in such workloads. However, GPUfs fails to…
We present GFORS, a GPU-accelerated framework for large binary integer programs. It couples a first-order (PDHG-style) routine that guides the search in the continuous relaxation with a randomized, feasibility-aware sampling module that…
A free data-analysis framework for muSR has been developed. musrfit is fully written in C++, is running under GNU/Linux, Mac OS X, as well as Microsoft Windows, and is distributed under the terms of the GNU GPL. It is based on the CERN ROOT…
Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the…
The fitting of spectral lines is a common step in the analysis of line observations and simulations. However, the observational noise, the presence of multiple velocity components, and potentially large data sets make it a non-trivial task.…
In this paper, we present version 2.0 of cashocs. Our software automates the solution of PDE constrained optimization problems for shape optimization and optimal control. Since its inception, many new features and useful tools have been…
This paper presents the latest improvements introduced in Version 4 of the UQpy, Uncertainty Quantification with Python, library. In the latest version, the code was restructured to conform with the latest Python coding conventions,…
The GENFIT toolkit, initially developed at the Technische Universitaet Muenchen, has been extended and modified to be more general and user-friendly. The new GENFIT, called GENFIT2, provides track representation, track-fitting algorithms…
GPUs and other accelerators are popular devices for accelerating compute-intensive, parallelizable applications. However, programming these devices is a difficult task. Writing efficient device code is challenging, and is typically done in…
Complex systems are increasingly being viewed as distributed information processing systems, particularly in the domains of computational neuroscience, bioinformatics and Artificial Life. This trend has resulted in a strong uptake in the…
Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…
General purpose computing on graphic processing units (GPU) is a potential method of speeding up scientific computation with low cost and high energy efficiency. We experimented with the particle physics simulation toolkit Geant4 used at…
Machine-learned interatomic potentials have revolutionized molecular dynamics simulations by providing quantum-mechanical accuracy at empirical-potential speeds. The graphics processing unit molecular dynamics (GPUMD) package, featuring the…
Recovering 3D object pose and shape from a single image is a challenging and ill-posed problem. This is due to strong (self-)occlusions, depth ambiguities, the vast intra- and inter-class shape variance, and the lack of 3D ground truth for…
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open-source plug-in that provides some of the most popular molecular dynamics (MD) codes with implementations of a…
Reliable parameter extraction from experimental data is central to quantitative analysis in spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. We present FitED, a Python-based desktop…
A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…
This paper introduces an automated heuristic process able to achieve high accuracy when matching graphical user interface widgets across multiple versions of a target application. The proposed implementation is flexible as it allows full…