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Model for open catalyst project 10k dataset

  • Description: This is a benchmark to evaluate how accurately an AI model can predict the relaxed energy a subset (~10k) Open Catalyst Project dataset. Here we use mean absolute error (MAE) to compare models with respect to DFT accuracy. External links:


Model benchmarks

Model nameDataset MAE Team name Dataset size Date submitted Notes
ocp_cgcnn_10kocp10k0.9873OCP5988601-14-2023CSV, JSON,, Info
alignn_modelocp10k0.7623ALIGNN5988601-14-2023CSV, JSON,, Info
ocp_schnet_10kocp10k1.0578OCP5988601-14-2023CSV, JSON,, Info