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Benchmarks
Macrocycle Generation on Unconditional Macrocycle Generation (test)
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0.771
Diversity
MACROGUIDE
0.70444
0.72172
0.739
0.75628
Feb 16, 2026
Diversity
Novelty
Uniqueness
PoseBusters Score
Bond Length Validity
Bond Angle Validity
Steric Clash Avoidance Score
Aromatic Ring Flatness Score
Non-Aromatic Ring Geometry Score
Double Bond Flatness Score
Internal Energy Stability Score
Updated 4d ago
Evaluation Results
Method
Method
Links
Diversity
Novelty
Uniqueness
PoseBusters Score
Bond Length Validity
Bond Angle Validity
Steric Clash Avoidance Score
Aromatic Ring Flatness Score
Non-Aromatic Ring Geometry Score
Double Bond Flatness Score
Internal Energy Stability Score
MACROGUIDE
Guidance=Topological
2026.02
0.771
1
1
0.805
0.99
0.987
0.844
0.999
0.999
0.989
0.984
MolDiff
Guidance=None
2026.02
0.707
1
1
0.663
0.977
0.949
0.722
0.98
0.981
0.965
0.961
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