A deep learning package for many-body potential energy representation and molecular dynamics
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
a package for developing machine learning-based chemically accurate energy and density functional models
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
