Spot-check of the Jang et al. PU-CGCNN Crystal-Likeness Score on 10 experimentally known Materials Project structures and 10 high energy-above-hull theoretical structures. CIFs fetched via the Ouro Materials Project route; scores from the PU-CGCNN predict route.
Spot-check of the Jang et al. PU-CGCNN Crystal-Likeness Score on 10 experimentally known Materials Project structures and 10 high energy-above-hull theoretical structures. CIFs fetched via the Ouro Materials Project route; scores from the PU-CGCNN predict route.