MatterVial - featurized datasets for MatBench v0.1

NIAID Data Ecosystem2026-05-10 收录

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https://figshare.com/articles/dataset/MatterVial_-_featurized_datasets_for_MatBench_v0_1/30127063

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资源简介：

Datasets of matbench v.0.1 featurized with MatterVial v.1 featurizers.

创建时间：

2025-09-15

MatterVial - featurized datasets for MatBench v0.1

Datasets of matbench v.0.1 featurized with MatterVial v.1 featurizers.

DataCite Commons2025-09-15 更新50

MatterVial - featurized datasets for MatBench v0.1

Datasets of matbench v.0.1 featurized with MatterVial v.1 featurizers.

DataCite Commons2025-09-15 更新10

Matbench perovskites - Featurized with MatterVial, coGN and SISSO augmented

Matbench perovskites - Featurized with MatterVial, coGN and SISSO augmented, used in the paper "Combining feature-based approaches with graph neural networks and symbolic regression for synergistic pe

Figshare2025-09-15 更新00

MatterVial - featurized datasets for MatBench v0.1

Datasets of matbench v.0.1 featurized with MatterVial v.1 featurizers.

Figshare2025-09-15 更新00

Matbench v0.1

Matbench v0.1数据集包含来自Materials Project数据库的10987个材料的剪切模量和体积模量数据。该数据集用于训练晶体图卷积神经网络（CGCNN）模型，以预测无机晶体的弹性性质。数据集包含晶体结构信息，以及通过Voigt-Reuss-Hill（VRH）平均法预测的剪切模量和体积模量。数据集的创建旨在提高材料设计中的计算效率，并丰富现有的材料弹性数据资源。

arXiv2025-11-06 更新500