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molecular potential

2 papers

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Co-occurring keywords · papers mentioning both

cartesian tensor (1) neural network potential (1) quantum mechanics (1) equivariant transformer (1) tensor representation (1) message passing neural network (1) equivariant neural network (1) molecular dynamics (1)

Papers

TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials NeurIPS 2023 Equivariant Transformers for Neural Network based Molecular Potentials ICLR 2022