a package for developing machine learning-based chemically accurate energy and density functional models
最近更新: 1年多前哥伦布训练营教学案例,用于教学,包含一个CH4案例。方便大家学习DeePMD-kit和DP-GEN。 DeePMD-kit包含用DeePMD-kit跑CH4案例 DP-GEN包含用DP-GEN跑CH4案例
最近更新: 接近4年前Conda recipes for DeePMD-kit. (Moved to https://github.com/deepmd-kit-recipes)
最近更新: 5年前