colabfit/OMat24_train_rattled_1000_subsampled

OMat24 train rattled 1000 subsampled是OMat24数据集的一个抖动处理并1000倍抽样的训练子集。OMat24是一个包含大量密度泛函理论(DFT)计算结果的大规模开放数据集，分为训练集和验证集，每个集合都有基于结构生成策略的子集和子采样集。该数据集包含了3879731个独特的分子配置和55648760个原子，涵盖了多种元素，并提供了能量、原子力和Cauchy应力等属性。

OMat24 train rattled 1000 subsampled is a subset of the OMat24 dataset that has been rattled and subsampled 1000 times for training purposes. OMat24 is a large-scale open dataset containing a vast number of density functional theory (DFT) calculations, split into training and validation sets, each with sub-datasets and subsampled subsets based on structure generation strategies. The dataset includes 3,879,731 unique molecular configurations and 55,648,760 atoms, covering various elements and providing properties such as energy, atomic forces, and Cauchy stress.