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  1. deepmodeling/deepmd-kit deepmodeling/deepmd-kit Public

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

    C++ 1.5k 523

  2. deepmodeling/DMFF deepmodeling/DMFF Public

    DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.

    Python 161 46