Published January 15, 2026 | Version v0.1.0
Dataset Open

SPARC: An Automated Workflow Toolkit for Accelerated Active Learning of Reactive Machine Learning Interatomic Potentials

Authors/Creators

  • 1. Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, USA

Description

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.

Files

Files (488.7 MB)

Name Size Download all
md5:608d6d2b8ced98a8396299335b4d1f0a
488.7 MB Download

Additional details

Software

Repository URL
https://github.com/rahulumrao/sparc
Programming language
Python , YAML
Development Status
Active