SPARC: An Automated Workflow Toolkit for Accelerated Active Learning of Reactive Machine Learning Interatomic Potentials
Abstract
This compressed archive contains the required set of input files to execute the SPARC MLIP workflow. The dataset also includes the configuration settings to reproduce the results of this work.In addition, the Result directory located inside the root folder contains the corresponding output data generated from the workflow run.
Fields of Study & Subjects
Machine Learning in Materials Science
Advanced Chemical Physics Studies
Model Reduction and Neural Networks
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 15 January 2026
- Document type
- Dataset