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ResearchFormerly WizWand

Molecule Generation on QM9 (test)

99.9UniquenessEDM
84.19688.27392.3596.427Nov 1, 2024Jan 20, 2025Apr 10, 2025Jun 29, 2025Sep 17, 2025Dec 6, 2025Feb 24, 2026
Updated 8mo ago

Evaluation results

MethodLinks
EDMTarget Property=epsilon_LUMO2024.1199.984.5—
TACSTarget Property=epsilon_LUMO2024.1199.871.6—
GeoLDMExplicit Hydrogen Generation=true2025.0398.82—93.8
GeoLDM# Params=20M, Training strategy=Two-stage training2026.0298.82—93.8
Equivariant DiffusionExplicit Hydrogen Generation=true2025.0398.69—91.9
Equivariant Diffusion# Params=20M, Training strategy=One-stage training2026.0298.69—91.9
SymphonyExplicit Hydrogen Generation=true2025.0397.98—83.5
Symphony# Params=2M, Training strategy=One-stage training2026.0297.98—83.5
ADiTTraining Strategy=QM9-only, Explicit Hydrogen Generation=true2025.0397.9—92.19
ADiT# Params=180M, Training strategy=Two-stage training, Configuration=QM9-only2026.0297.9—92.19
ADiTTraining Strategy=Jointly trained, Explicit Hydrogen Generation=true2025.0397.82—94.45
ADiT# Params=180M, Training strategy=Two-stage training, Configuration=Jointly trained2026.0297.82—94.45
ADiTTraining Strategy=QM9-only, Explicit Hydrogen Generation=false2025.0397.76—96.02
ZATOM-1# Params=80M, Training strategy=One-stage training, Configuration=QM9-only2026.0297.71—92.88
ZATOM-1# Params=80M, Training strategy=One-stage training, Configuration=Jointly trained2026.0297.16—94.94
ZATOM-1-XL# Params=300M, Training strategy=One-stage training, Configuration=Jointly trained2026.0297.1—95.19
ADiTTraining Strategy=Jointly trained, Explicit Hydrogen Generation=false2025.0396.92—97.43
ZATOM-1-L# Params=160M, Training strategy=One-stage training, Configuration=Jointly trained2026.0296.84—95.26
Equivariant DiffusionExplicit Hydrogen Generation=false2025.0396.71—97.5
EEGSDETarget Property=epsilon_LUMO2024.1184.884.8—