This repository contains links to datasets for benchmarking machine learning models for predicting Li-ion migration, as described in our paper "Benchmarking machine learning models for predicting lithium ion migration", along with the description of Python utilities for handling the datasets.
About
Source links
Python tools
Datasets in detail
nebDFT2k
MPLiTrj… See the full description on the dataset page:
https://huggingface.co/datasets/dembart/LiTraj.
