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Add TorchSim calculator#46

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cfarm6 wants to merge 5 commits intoisayevlab:mainfrom
cfarm6:torchsim_calculator
Open

Add TorchSim calculator#46
cfarm6 wants to merge 5 commits intoisayevlab:mainfrom
cfarm6:torchsim_calculator

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@cfarm6 cfarm6 commented Mar 19, 2026

This PR adds support for using AimNet2 as a model in TorchSim. TorchSim enables automatic batching support for single point, geometry optimization, and molecular dynamics simulations. Tests were added for the additional calculator. Additional examples were added to support the new interface.

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