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Density matrix estimation on PubChem

Density matrix estimation on PubChem

0.36Frobenius Norm ErrorMōLe

Updated 8mo ago

Evaluation results

Method	Links
MōLe2026.02		0.36
MP22026.02		0.9

State-of-the-art paper

MōLe

Coupled Cluster con M\=oLe: Molecular Orbital Learning for Neural Wavefunctions

Dataset

PubChem

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Related benchmarks

Energy prediction on QM7 (test)Energy prediction on Amino acids Energy Prediction on PubChem Energy Prediction on Diels-Alder reaction Energy Prediction on Dihedral scan

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