S23D, a standard LLaMA-style transformer with fixed linear attention biases based on shortest-path graph distances, sets state-of-the-art recall on GEOM-DRUGS at 24.8 million parameters.
Equivariant energy-guided SDE for inverse molecular design
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A standard transformer and attention with linear biases for molecular conformer generation
S23D, a standard LLaMA-style transformer with fixed linear attention biases based on shortest-path graph distances, sets state-of-the-art recall on GEOM-DRUGS at 24.8 million parameters.