197 datasets found

Fingerprint distances, which measure the similarity of atomic environments, are commonly calculated from atomic environment fingerprint vectors. In this work, we present the...

The nature of the bulk hydrated electron has been a challenge for both experiment and theory due to its short lifetime and high reactivity, and the need for a high-level of...

Machine learning (ML) algorithms have undergone an explosive development impacting every aspect of computational chemistry. To obtain reliable predictions, one needs to maintain...

Data-driven approaches used to predict thermophysical properties benefit from physical constraints because the extrapolation behavior can be improved and the amount of training...

This Dataset contains the data required to reproduce the publication "Machine Learning the Energetics of Electrified Solid/Liquid Interfaces" (preprint:...

This dataset contains the necessary code for using our soot (instance) segmentation model used for segmenting soot filaments from PIV (Mie scattering) images. In the...

The dataset contains key files to reproduce the results presented in the article " Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of...

Scripts used in the experiments and analysis presented in the paper.

This is a Pytorch implementation of the paper Shrinking Embeddings for Hyper-relational Knowledge Graphs published in ACL'23. This code is used to reproduce the experiments of...

This code is a PyTorch implementation of the paper "NestE: Modeling Nested Relational Structures for Knowledge Graph Reasoning (AAAI'24)". NestE is a knowledge graph embedding...

Data for "Srinivasan, P., Demuriya, D., Grabowski, B. et al. Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom. npj Comput Mater 10,...

Data sets of the article "Constraint-aware neural networks for Riemann problems", consisting of training and test data sets for Riemann solutions of the cubic flux model, an...

This dataset supports the development and validation of machine learning interatomic potentials (MLIPs) for modeling hydrogen absorption in C14 (hexagonal) and C15 (cubic)...

This dataset contains all experimental data that is shown within the paper "Compensation of the Transmission Errors in Electrically Preloaded Rack-and-Pinion Drives". Large...

This dataset contains the necessary code for using our spray segmentation model used in the paper, ML-based semantic segmentation for quantitative spray atomization description....

This repository contains raw and post-processed replication data for the publication "Robustly optimal dynamics for active matter reservoir computing" (Gaimann and Klopotek,...

This dataset contains supplementary videos for the publication "Robustly optimal dynamics for active matter reservoir computing" (Gaimann and Klopotek, 2025) The videos show...

This entry contains the data used to implement the bachelor thesis. It was investigated how embeddings can be used to analyze supersecondary structures. Abstract of the thesis:...

The data in this repository support the findings presented in the article "Atomistic modeling of bulk and grain boundary diffusion in solid electrolyte Li6PS5Cl using...

Dataset for Floor Type Detection of the Robot Dog Unitree Go1 Edu. Details can be found in the seperate report. !!Privacy Statement!! This dataset is made available for...