EMPP masks an atom's coordinates and predicts them from neighbor embeddings via spherical harmonic distributions, improving molecular property prediction over masking and denoising baselines.
Spherical channels for modeling atomic interactions
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Equivariant Masked Position Prediction for Efficient Molecular Representation
EMPP masks an atom's coordinates and predicts them from neighbor embeddings via spherical harmonic distributions, improving molecular property prediction over masking and denoising baselines.