colabfit/JARVIS_TinNet_O
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/JARVIS_TinNet_O
下载链接
链接失效反馈官方服务：
资源简介：
JARVIS TinNet O数据集是JARVIS数据库的一部分，该数据库是一个用于各种集成模拟的联合自动化仓库。这个数据集包含了TinNet-O数据集的配置，用于训练机器学习模型，目的是通过预测过渡金属表面的化学活性来辅助催化剂设计。数据集中的吸附系统由{111}终止的金属表面组成。JARVIS是一套旨在满足当前材料设计挑战的工具和收集的数据集。
The JARVIS_TinNet dataset is part of the joint automated repository for various integrated simulations (JARVIS) database. This dataset contains configurations from the TinNet-O dataset: a collection assembled to train a machine learning model for the purposes of assisting catalyst design by predicting chemical reactivity of transition-metal surfaces. The adsorption systems contained in this dataset consist of {111}-terminated metal surfaces. JARVIS is a set of tools and collected datasets built to meet current materials design challenges.
提供机构：
colabfit
