NequIP dataset and model for LGPS

Name: NequIP dataset and model for LGPS
Published: 2022-11-05T00:00:00+08:00

数据链接：

官方服务：

资源简介：

Can be used to run MD with the NequIP repository. Units for the dataset are: kcal/mol for energy, kcal/mol-Å for forces, Å for units of length.

创建时间：

2022-11-05