torch_sim.modelsΒΆ
Models for TorchSim.
Modules
Wrapper for FairChem ecosystem models in TorchSim. |
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An interface for using arbitrary GraphPESModels in torch_sim. |
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Core interfaces for all models in torchsim. |
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Classical pairwise interatomic potential model. |
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Wrapper for MACE model in TorchSim. |
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TorchSim wrapper for MatterSim models. |
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Wrapper for metatensor-based models in TorchSim. |
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Anharmonic interatomic potential for molecular dynamics. |
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ORB: PyTorch implementation of ORB models for atomistic simulations. |
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TorchSim wrapper for SevenNet models. |
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Soft sphere model for computing energies, forces and stresses. |