colabfit/aleatoric_epistemic_error_AIC2023
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/aleatoric_epistemic_error_AIC2023
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资源简介：
aleatoric epistemic error AIC2023数据集包含了H2CO分子的配置信息，用于测试噪声对拟合质量的影响。数据集中包含清洁能量值以及在不同级别的高斯噪声添加到原子力上的配置，还有能量在不同级别扰动下的配置。数据集共包含28808个独特的分子配置，涉及115232个原子，包含元素有碳、氢和氧，属性包括能量和原子力。
The aleatoric epistemic error AIC2023 dataset contains configuration information of H2CO molecules, used for testing the effect of noise on the quality of fit. The dataset includes clean energy values with different levels of Gaussian noise added to atomic forces, as well as configurations with energies perturbed at different levels. The dataset consists of 28,808 unique molecular configurations involving 115,232 atoms, including elements carbon (C), hydrogen (H), and oxygen (O), with properties such as energy and atomic forces.
提供机构：
colabfit
