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PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range…
Understanding astrophysical and cosmological processes can be challenging due to their complexity and lack of intuitive analogies. To address this, we present \texttt{AstronomyCalc}, a Python package specifically designed to aid…
The Cloud-Edge continuum enhances application performance by bringing computation closer to data sources. However, it presents considerable challenges in managing resources and determining service placement, as these tasks require…
Forecasting compound floods presents a significant challenge due to the intricate interplay of meteorological, hydrological, and oceanographic factors. Analyzing compound floods has become more critical as the global climate increases flood…
WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt with quantum…
Ensuring the security and reliability of machine learning frameworks is crucial for building trustworthy AI-based systems. Fuzzing, a popular technique in secure software development lifecycle (SSDLC), can be used to develop secure and…
Earthquake hazard analysis and design of spatially distributed infrastructure, such as power grids and energy pipeline networks, require scenario-specific ground-motion time histories with realistic frequency content and spatiotemporal…
PARMESAN (the Python Atmospheric Research Package for MEteorological TimeSeries and Turbulence ANalysis) is a Python package providing common functionality for atmospheric scientists doing time series or turbulence analysis. Several…
pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…
Stochastic wind sea is an intermediate small-scale physical process responsible for the state of the atmospheric boundary layer and the water upper layer, having dynamics of all scales. To describe behavior of this system, one could use the…
SpartyJet is a set of software tools for jet finding and analysis, built around the FastJet library of jet algorithms. SpartyJet provides four key extensions to FastJet: a simple Python interface to most FastJet features, a powerful…
The idea of curvature analysis has been widely used in subsurface structure interpretation from three-dimensional (3D) seismic data (e.g., fault/fracture detection and geomorphology delineation) by measuring the lateral changes in the…
Software engineering (SWE) has recently emerged as a crucial testbed for next-generation LLM agents, demanding inherent capabilities in two critical dimensions: sustained iterative problem-solving (e.g., >50 interaction rounds) and…
Even todays most advanced machine learning models are easily fooled by almost imperceptible perturbations of their inputs. Foolbox is a new Python package to generate such adversarial perturbations and to quantify and compare the robustness…
An array of seismometers is being developed at the Sanford Underground Laboratory, the former Homestake mine, in South Dakota to study the properties of underground seismic fields and Newtonian noise, and to investigate the possible…
We introduce PyQBench, an innovative open-source framework for benchmarking gate-based quantum computers. PyQBench can benchmark NISQ devices by verifying their capability of discriminating between two von Neumann measurements. PyQBench…
Scientific workflows automate the analysis of large-scale scientific data, fostering the reuse of data processing operators as well as the reproducibility and traceability of analysis results. In exploratory research, however, workflows are…
Using error diagrams, we quantify the forecasting of characteristic-earthquake occurrence in a recently introduced minimalist model. Initially we connect the earthquake alarm at a fixed time after the ocurrence of a characteristic event.…
Managing issue reports is essential for the evolution and maintenance of software systems. However, manual issue management tasks such as triaging, prioritizing, localizing, and resolving issues are highly resource-intensive for projects…
We present SySCoRe, a MATLAB toolbox that synthesizes controllers for stochastic continuous-state systems to satisfy temporal logic specifications. Starting from a system description and a co-safe temporal logic specification, SySCoRe…