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openmm / openmm-torch

OpenMM plugin to define forces with neural networks
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Clone the module on TorchForceImpl initialization #116

Closed RaulPPelaez closed 1 year ago

RaulPPelaez commented 1 year ago

This avoids different contexts sharing the same instance of the module owned by TorchForce. Fixes https://github.com/openmm/NNPOps/pull/113 and https://github.com/openmm/NNPOps/issues/112

peastman commented 1 year ago

Looks good.