Remove file saving in ANIPotentialImp

openmm / openmm-ml

High level API for using machine learning models in OpenMM simulations

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Closed JMorado closed 8 months ago

JMorado commented 8 months ago

As discussed in #61, this PR removes the need to write the model to a file, as TorchForce can now directly accept models.

peastman commented 8 months ago

Thanks!