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.
Global”), and the second variant uses all atoms to predict and adds distance-related weights (“Global + Dist Weights
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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.