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34 Ericwang6 (Yingze Wang) · GitHub
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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

    Python 1.7k 551

  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 176 46









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