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Migrate relaxation scripts from BatchRelaxer to TorchSim #10

@zdcao121

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@zdcao121

BatchRelaxer is no longer maintained. It would be better to replace it with TorchSim, which is faster and better supported. Orb v0.6 also integrates well with torch-sim, which should simplify migration. For details on how to use TorchSim with Orb, please refer to the Orb documentation.

TODO:

  • replace BatchRelaxer withTorchSim in mlff_relax_batch.py

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