Generalization of Graph-Based Active Learning Relaxation Strategies Across Materials
This repository contains all data for the experiments we ran for the corresponding manuscript. This repository is meant to be a submodule of the corresponding codebase: Finetuna. If you find this code or work useful in any way, please consider citing:
@inproceedings{@,
title={FINETUNA: Fine-tuning Accelerated Molecular Simulations},
author={Joseph Musielewicz, Xiaoxiao Wang, Tian Tian, and Zachary Ulissi},
year={2022},
eprint={},
booktitle={},
}