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  • openmmml.MLPotential
  • openmmml.mlpotential.MLPotentialImplFactory
  • openmmml.mlpotential.MLPotentialImpl
  • openmmml.models.anipotential.ANIPotentialImpl
  • API

API#

openmmml.MLPotential

A potential function that can be used in simulations.

Developer API#

openmmml.mlpotential.MLPotentialImplFactory

Abstract interface for classes that create MLPotentialImpl objects.

openmmml.mlpotential.MLPotentialImpl

Abstract interface for classes that implement potential functions.

Models#

openmmml.models.anipotential.ANIPotentialImpl

This is the MLPotentialImpl implementing the ANI potential.

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