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Crystal Property Prediction on JARVIS-DFT (80/10/10 split)

0.026Formation Energy MAECrysLDNet
0.01940.063950.10850.15305May 30, 2026

Evaluation results

MethodLinks
CrysLDNetEvaluation Protocol=Pretrain-Finetune2026.050.0260.1180.0270.0320.2388.8178.4284.120.34
CoGNEvaluation Protocol=Train-from-scratch2026.050.0270.1220.0290.0470.2649.3828.9824.5460.367
iComFormerEvaluation Protocol=Train-from-scratch2026.050.0270.1220.0290.0440.2619.6179.0984.5830.36
PDDFormerEvaluation Protocol=Train-from-scratch2026.050.0270.120.0280.0330.2519.5468.8084.30.358
eComFormerEvaluation Protocol=Train-from-scratch2026.050.0280.1240.0320.0470.28210.799.8264.610.373
PotNetEvaluation Protocol=Train-from-scratch2026.050.0290.1270.0320.0550.2710.119.2324.570.361
CrysDiffEvaluation Protocol=Pretrain-Finetune2026.050.0290.1310.0340.0620.2879.8759.1915.030.358
DPFEvaluation Protocol=Pretrain-Finetune2026.050.0290.1220.0320.0590.31110.439.5965.1290.358
ALIGNNEvaluation Protocol=Train-from-scratch2026.050.0330.1420.0370.0760.3110.49.4815.1460.389
MatformerEvaluation Protocol=Train-from-scratch2026.050.0330.1370.0350.0640.311.2110.765.260.398
Crystal TwinsEvaluation Protocol=Pretrain-Finetune2026.050.0420.160.050.1320.37413.4111.184.9670.393
SchNetEvaluation Protocol=Train-from-scratch2026.050.0450.190.0470.140.4313.2511.127.4310.409
MEGNetEvaluation Protocol=Train-from-scratch2026.050.0470.1450.0580.0840.3414.212.257.2130.445
GATGNNEvaluation Protocol=Train-from-scratch2026.050.0470.170.0560.120.5114.3212.487.5040.431
CrysGNNEvaluation Protocol=Pretrain-Finetune2026.050.0560.1830.0690.130.37113.4211.075.4520.374
DimeNet++Evaluation Protocol=Train-from-scratch2026.050.0590.2390.0740.1420.39410.5105.2910.374
CrysXPPEvaluation Protocol=Pretrain-Finetune2026.050.0620.190.0720.1390.37813.6111.25.110.363
CGCNNEvaluation Protocol=Train-from-scratch2026.050.0630.20.0780.170.4114.4711.758.0220.454
EquiformerEvaluation Protocol=Train-from-scratch2026.050.1910.2650.4860.2860.64912.5414.776.1330.361