DeepModeling

Pinned

1. deepmd-kit Public

   A deep learning package for many-body potential energy representation and molecular dynamics

   C++ 770 297

2. dpgen Public

   The deep potential generator

   Python 141 114

3. dpdata Public

   Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

   Python 82 71

4. deepks-kit Public

   a package for developing machine learning-based chemically accurate energy and density functional models

   Python 61 18

5. rid-kit Public

   Reinforced dynamics

   Python 16 13

6. abacus-develop Public

   Forked from abacusmodeling/abacus-develop

   An electronic structure package based on either plane wave basis or numerical atomic orbitals.

   C++ 40 34