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Papers Benchmarks Datasets Tasks

Multi-Objective Molecule Generation research benchmarks · SOTA2 Research

Multi-Objective Molecule Generation

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

15Pareto Count (GAP-SA)

5

May 29, 2026

Routing by Reaching

0.665Hypervolume

5

May 29, 2026

Routing by Reaching

0.607Hypervolume

5

May 29, 2026

0.665Hypervolume

5

May 29, 2026

Routing by Reaching

1Hypervolume

5

May 29, 2026

Fragment-based Molecule Generation (ALL)

Routing by Reaching

0.679Hypervolume

5

May 29, 2026

Fragment-based Molecule Generation SA-QED

Routing by Reaching

0.792Hypervolume

5

May 29, 2026

Fragment-based Molecule Generation SEH-QED

Routing by Reaching

0.768Hypervolume

5

May 29, 2026

Fragment-based Molecule Generation SEH-SA

0.842Hypervolume

5

May 29, 2026

Routing by Reaching

0.023IGD+ (GAP-SA)

5

May 29, 2026

0.053IGD+ (SEH-SA)

5

May 29, 2026

QM9 ALL GAP SA QED

Routing by Reaching (Model F)

72.7Reward

4

May 29, 2026

Routing by Reaching (Model F)

71Reward

4

May 29, 2026

0.784Reward

4

May 29, 2026

Routing by Reaching (Model F)

0.873Reward

4

May 29, 2026

Fragment ALL: SEH, SA, QED

Routing by Reaching (DB F)

0.742Reward

4

May 29, 2026

Fragment SA-QED

Routing by Reaching (Model F)

0.797Reward

4

May 29, 2026

Fragment SEH-QED

Routing by Reaching (DB F)

0.777Reward

4

May 29, 2026

Fragment SEH-SA

83.9Reward

4

May 29, 2026

Popular datasets

QM9 Fragment Fragment-based Molecule Generation

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