This dataset contains the neural network potential (NNP) models used in the associated manuscript, including standalone executables and the Python interface for Au-, Ag-, and Cu-catalyzed systems. The models can be used together with the VLA-PRO package to reproduce the calculations reported in the manuscript. Installation instructions, example calculations, and expected outputs are provided in the accompanying README files.
This deposit contains the field data, synthetic training datasets, trained network weights and analysis code supporting the article "Physics-informed neural network inversion of electrical resistivity tomography data: amortized optimization with field validation in the Moroccan M…
Reproduction data for the associated manuscript This record contains the software, input files, and precomputed data required to reproduce the calculations reported in Algorithmic first-principles reaction discovery uncovers overlooked cubane transformations The archive includes…
Data and Code to reproduce results in paper "A Systematic Literature Review on Graph-Based Models in Credit Risk Assessment" This repository contains the necessary codes to reproduce results in the paper: Baals, L. J., Liu, Y., Osterrieder, J., & Hadji-Misheva, B. (2025). A Syste…
Nigeria's oil and gas pipeline network spanning over 5,000 km of trunk lines and more than 3,000 km of flow lines loses an estimated one billion US dollars annually to pipeline failures, environmental incidents, and non-productive time. The dominant monitoring approach in operati…
Physics-Informed Neural Networks (PINNs) offer a promising bridge between deep learning and biophysical modeling by embedding differential equations directly into the learning process. This paper explores an automated framework using Bayesian Optimization (BO) and PINNs in order…