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ECD prediction on CMCDS

2.02Position RMSEECDFormer
1.9942.16952.3452.5205Feb 7, 2026

Evaluation results

MethodLinks
ECDFormer2026.022.021.0150.3
DimeNet++2026.022.121.0450.8
ChiDeK2026.022.21.1853.3
Tetra-DMPNNvariant=permutation (p)2026.022.361.2850
SphereNet2026.022.361.0251.9
Tetra-DMPNNvariant=concatenation (c)2026.022.381.2550
ChiGNN2026.022.391.2449.9
SPMS2026.022.581.2250.9
ChIRo2026.022.671.2251