This project provides benchmark-performances of various methods for materials science applications using the datasets available in JARVIS-Tools databases. Some of the methods are: Artificial Intelligence (AI), Electronic Structure (ES), Force-field (FF), Qunatum Computation (QC) and Experiments (EXP). There are a variety of properties included in the benchmark. In addition to prediction results, we attempt to capture the underlyig software, hardware and instrumental frameworks to enhance reproducibility. This project is a part of the NIST-JARVIS infrastructure.
Website: https://atomgptlab.github.io/jarvis_leaderboard/
Note: This project was originally developed under the github.com/usnistgov organization. New updates and developments will be carried out here.