Dataset for CH GAP interatomic potential
收藏NIAID Data Ecosystem2026-05-02 收录
数据链接：
官方服务：
资源简介：
This is a dataset used to train general-purpose CH GAP interatomic potential [1]. The database contains the following entries: Dimers of carbon and hydrogen Trimers "Soup" structures generated during iterative training QM9[6] molecules augmented to C and H containing molecules only Interactive molecules generated using active learning a-C dataset from [2] Bulk and surface carbon structures CH structures geneated using high pressure
创建时间：
2024-09-11
