OMat24_train_rattled_500

The rattled-500 training split of OMat24 (Open Materials 2024). OMat24 is a large-scale open dataset of density functional theory (DFT) calculations. The dataset is available in subdatasets and subsampled sub-datasets based on the structure generation strategy used. There are two main splits in OMat24: train and validation, each divided into the aforementioned subsampling and sub-datasets.

搜集汇总

背景与挑战

背景概述

OMat24_train_rattled_500是OMat24（开放材料2024）数据集的rattled-500训练子集。该数据集是一个大规模公开的密度泛函理论（DFT）计算数据集，包含基于不同结构生成策略的子数据集和子采样子数据集。