openmm / openmm-torch

OpenMM plugin to define forces with neural networks
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Created HIP platform #157

Closed peastman closed 2 weeks ago

peastman commented 3 weeks ago

I created a common implementation, allowing OpenCL and HIP to be supported with the same code. Another benefit is that the OpenCL platform will now also compute the Pytorch model with CUDA or HIP if it's available, instead of always doing it on the CPU.