Table 3 Comparative evaluation of SCANN and four other DL models in predicting two physical properties on the MP 2018.6.1 dataset.

From: Towards understanding structure–property relations in materials with interpretable deep learning

Target

Unit

CGCNN12

SchNet30

MEGNet35

ALIGNN36

SCANN

SCANN+

ΔE

meV atom−1

39

35

28

22

29

28

Eg

meV

388

–

330

210

260

225

  1. The bold numbers denote the lowest mean absolute errors (MAEs) among the six models.
  2. The dash symbol (–) indicates the result has not been reported yet.
  3. ΔE Formation energy per atom, Eg Band gap.
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