JARVIS Open Catalyst 100K
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https://materials.colabfit.org/id/DS_armtbsouma25_0
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资源简介：
The JARVIS_Open_Catalyst_100K dataset is part of the joint automated repository for various integrated simulations (JARVIS) DFT database. This subset contains configurations from the 100K training, rest validation and test dataset from the Open Catalyst Project (OCP). JARVIS is a set of tools and datasets built to meet current materials design challenges.
JARVIS_Open_Catalyst_100K 数据集是联合自动化集成模拟（JARVIS）DFT 数据库的组成部分。本子集包含了来自 Open Catalyst 项目（OCP）的 100K 训练集、其余验证集和测试集的配置。JARVIS 是一套旨在应对当前材料设计挑战的工具和数据集。
提供机构：
ColabFit
