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ResearchFormerly WizWand

PubChem

Benchmarks

TaskDatasetSOTA resultTrendResults

Graph Reconstruction

PubChem32

0.14Edit Distance

4

Graph Reconstruction

PubChem16

0.05Edit Distance

4

Regression on molecular properties

PubChem32

0.294Dipole Moment MSE

3

Regression on molecular properties

PubChem 16

0.322Dipole Moment MSE

3

Molecule-to-Caption Translation

PubChem

0.414BLEU-2

3

PubChem

76.32BLEU

3

CCSD solver convergence

PubChem (out-of-distribution)

6.3Average Convergence Cycles

2

Density matrix estimation

PubChem

0.36Frobenius Norm Error

2