Multi-Objective Molecule Generation

Benchmarks

Dataset Name	SOTA Method	Metric
QM9	Ours (Model F)	Pareto Count (GAP-SA)15	5	5d ago
QM9 ALL	Routing by Reaching	Hypervolume0.665	5	5d ago
QM9 SA-QED	Routing by Reaching	Hypervolume0.607	5	5d ago
QM9 GAP-QED	HN-GFN	Hypervolume0.665	5	5d ago
QM9 GAP-SA	Routing by Reaching	Hypervolume1	5	5d ago
Fragment-based Molecule Generation (ALL)	Routing by Reaching	Hypervolume0.679	5	5d ago
Fragment-based Molecule Generation SA-QED	Routing by Reaching	Hypervolume0.792	5	5d ago
Fragment-based Molecule Generation SEH-QED	Routing by Reaching	Hypervolume0.768	5	5d ago
Fragment-based Molecule Generation SEH-SA	HN-GFN	Hypervolume0.842	5	5d ago
QM9	Routing by Reaching	IGD+ (GAP-SA)0.023	5	5d ago
Fragment	HN-GFN	IGD+ (SEH-SA)0.053	5	5d ago
QM9 ALL GAP SA QED	Routing by Reaching (Model F)	Reward72.7	4	5d ago
QM9 SA-QED	Routing by Reaching (Model F)	Reward71	4	5d ago
QM9 GAP-QED	MOGFN	Reward0.784	4	5d ago
QM9 GAP-SA	Routing by Reaching (Model F)	Reward0.873	4	5d ago
Fragment ALL: SEH, SA, QED	Routing by Reaching (DB F)	Reward0.742	4	5d ago
Fragment SA-QED	Routing by Reaching (Model F)	Reward0.797	4	5d ago
Fragment SEH-QED	Routing by Reaching (DB F)	Reward0.777	4	5d ago
Fragment SEH-SA	HN-GFN	Reward83.9	4	5d ago

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