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.
openmmml.models.macepotential.MACEPotentialImpl	This is the MLPotentialImpl implementing the MACE potential.