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Wavefunction evolution prediction on MDA 800/200/500 (test)
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0.0192
1-step Wavefunction l2-MAE
OrbEvo-WF
0.019
0.02035
0.0217
0.02305
Mar 3, 2026
1-step Wavefunction l2-MAE
Rollout Wavefunction l2-MAE
Rollout Wavefunction nRMSE
Dipole nRMSE (all)
Dipole nRMSE (z)
Absorption nRMSE (alpha)
Updated 1mo ago
Evaluation Results
Method
Method
Links
1-step Wavefunction l2-MAE
Rollout Wavefunction l2-MAE
Rollout Wavefunction nRMSE
Dipole nRMSE (all)
Dipole nRMSE (z)
Absorption nRMSE (alpha)
OrbEvo-WF
OrbEvo Model=WF-sall
2026.03
0.0192
0.0853
0.1585
0.3957
0.3066
0.0865
OrbEvo-DM
OrbEvo Model=DM-s8
2026.03
0.0242
0.0947
0.1778
0.3008
0.2326
0.0671
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