Enzyme3D-EC: Residue-Level Structural Graphs and Multi-Label EC Annotations for Enzyme Function Prediction

Supplementary Table 1. Detailed information about the construction of the datasets, including the corresponding PDB IDs, EC numbers, and UniProt IDs.Supplementary Table 2. EC-frequency-bin precision and recall values used to generate Figure 2 b), c).Supplementary Table 3. Sequence-identity-bin precision and recall values used to generate Figure 2 d), e).Supplementary Data 1. ESM-3 + Int-ResGAT training and evaluation logs underlying Figure 2 a) and Figure 3 c).Supplementary Data 2. ESM-3 training and evaluation logs underlying Figure 2 a) and Figure 3 c).Supplementary Data 3. ESM-1 + Int-ResGAT training and evaluation logs underlying Figure 3 c).Supplementary Data 4. ESM-2 + Int-ResGAT training and evaluation logs underlying Figure 3 c).Supplementary Data 5. Int-ResGAT trained without structure completion training and evaluation logs underlying Figure 3 c). train_20260328_0806.pth: Int-ResGAT Training log duplication 1. train_20260328_2329.pth: Int-ResGAT Training log duplication 2.