deepmodeling / DMFF

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
GNU Lesser General Public License v3.0
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update 4.3ADMPQeqForce.md #143

Closed gust-07 closed 8 months ago

WangXinyan940 commented 8 months ago

The QEQ code in this branch is out of date and cannot be merged. Cherry-picked the document in this PR.