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1. deepmodeling/deepks-kit deepmodeling/deepks-kit Public

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

   Python 103 35

2. fwdlap fwdlap Public

   Forward mode laplacian implemented in JAX tracer

   Python 29 1

3. deepmodeling/deepmd-kit deepmodeling/deepmd-kit Public

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

   C++ 1.5k 518

4. deepmd-plumed deepmd-plumed Public

   using deepmd models as CVs in plumed

   C++ 3 2

5. deepmodeling/dargs deepmodeling/dargs Public

   Argument processing for the deep modeling project.

   Python 5 3

6. hafqmc hafqmc Public

   source code of HAFQMC paper

   Python 5