CatFlow is a flow-matching generative model that produces slab-adsorbate complexes with higher structural fidelity than autoregressive baselines on the Open Catalyst 2020 dataset.
We apply a standard scaler to transform the distribution of each feature to have a mean of 0 and a variance of 1
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CatFlow: Co-generation of Slab-Adsorbate Systems via Flow Matching
CatFlow is a flow-matching generative model that produces slab-adsorbate complexes with higher structural fidelity than autoregressive baselines on the Open Catalyst 2020 dataset.