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AIMNet Centralgithub.comAIMNet2 provides fast neural network interatomic potentials that predict energies, forces, atomic charges, stress tensors, and Hessians for molecular and periodic atomistic simulations. It offers pretrained model families for general organic chemistry, open shell systems, palladium catalysis, and reactive paths, with integrations for ASE, PySisyphus, Sella, and TorchSim workflows.
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