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PyFR is an open-source cross-platform computational fluid dynamics framework based on the high-order Flux Reconstruction approach, specifically designed for undertaking high-accuracy scale-resolving simulations in the vicinity of complex…

PyPartMC is a Pythonic interface to PartMC, a stochastic, particle-resolved aerosol model implemented in Fortran. Both PyPartMC and PartMC are free, libre, and open-source. PyPartMC reduces the number of steps and mitigates the effort…

Mathematical Software · Computer Science 2024-01-17 Zachary D'Aquino , Sylwester Arabas , Jeffrey Curtis , Akshunna Vaishnav , Nicole Riemer , Matthew West

Scientific data across physics, materials science, and materials engineering often lacks adherence to FAIR principles (Barker et al., 2022; Jacobsen et al., 2020; M. D. Wilkinson et al., 2016; S. R. Wilkinson et al., 2025) due to…

As observational datasets become larger and more complex, so too are the questions being asked of these data. Data simulations, i.e., synthetic data with properties (pixelization, noise, PSF, artifacts, etc.) akin to real data, are…

Instrumentation and Methods for Astrophysics · Physics 2019-10-25 Molly S. Peeples , Bjorn Emonts , Mark Kyprianou , Matthew T. Penny , Gregory F. Snyder , Christopher C. Stark , Michael Troxel , Neil T. Zimmerman , John ZuHone

In recent years, there has been increasing interest in network diffusion models and related problems. The most popular of these are the independent cascade and linear threshold models. Much of the recent experimental work done on these…

Social and Information Networks · Computer Science 2024-04-29 Eliot W. Robson , Dhemath Reddy , Abhishek K. Umrawal

X-ray ptychography imaging at synchrotron facilities like the Advanced Photon Source (APS) involves controlling instrument hardwares to collect a set of diffraction patterns from overlapping coherent illumination spots on extended samples,…

Instrumentation and Detectors · Physics 2022-02-10 Ke Yue , Junjing Deng , Yi Jiang , Youssef Nashed , David Vine , Stefan Vogt

The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…

Computational Physics · Physics 2025-03-18 Patrick Müller , Wilfried Nörtershäuser

partycls is a Python framework for cluster analysis of systems of interacting particles. By grouping particles that share similar structural or dynamical properties, partycls enables rapid and unsupervised exploration of the system's…

Computational Physics · Physics 2021-11-22 Joris Paret , Daniele Coslovich

Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…

We present WOFRY (Wave Optics FRamework in pYthon), a specialized toolbox designed for wave optics modeling, with particular emphasis on partial coherence. This package is tailored to assist synchrotron scientists and engineers in the…

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

Process mining enables business owners to discover and analyze their actual processes using event data that are widely available in information systems. Event data contain detailed information which is incredibly valuable for providing…

Cryptography and Security · Computer Science 2021-08-02 Majid Rafiei , Alexander Schnitzler , Wil M. P. van der Aalst

Researchers in the field of materials science, chemistry, and computational physics are regularly posed with the challenge of managing large and heterogeneous data spaces. The amount of data increases in lockstep with computational…

Databases · Computer Science 2018-02-28 Carl S. Adorf , Paul M. Dodd , Vyas Ramasubramani , Sharon C. Glotzer

Data analysis focuses on harnessing advanced statistics, programming, and machine learning techniques to extract valuable insights from vast datasets. An increasing volume and variety of research emerged, addressing datasets of diverse…

Databases · Computer Science 2025-01-06 Chen Liang , Donghua Yang , Zheng Liang , Zhiyu Liang , Tianle Zhang , Boyu Xiao , Yuqing Yang , Wenqi Wang , Hongzhi Wang

PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…

Soft Condensed Matter · Physics 2023-08-25 D. A. Matoz-Fernandez , Siyu Li , Monica Olvera de la Cruz , Rastko Sknepnek

CapsuleFS (CFS) is the first filesystem to integrate multi-credential functionality within a POSIX-compliant framework, utilizing DataCapsule as the storage provider. This innovative system is established based on the Global Data Plane in…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-10 Qingyang Hu , Yucheng Huang , Manshi Yang

Recently, the computational neuroscience community has pushed for more transparent and reproducible methods across the field. In the interest of unifying the domain of auditory neuroscience, naplib-python provides an intuitive and general…

Neurons and Cognition · Quantitative Biology 2023-09-20 Gavin Mischler , Vinay Raghavan , Menoua Keshishian , Nima Mesgarani

In this work, we review the theory involved in the Bayesian calibration of complex computer models, with particular emphasis on their use for applications involving computationally expensive simulations and scarce experimental data. In the…

Computation · Statistics 2026-02-02 Christina Schenk , Ignacio Romero

Direct Numerical Simulations (DNS) of the Navier Stokes equations is a valuable research tool in fluid dynamics, but there are very few publicly available codes and, due to heavy number crunching, codes are usually written in low-level…

Mathematical Software · Computer Science 2016-07-05 Mikael Mortensen

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…

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