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Benchmarks
3D Molecular Generation on GEOM (test)
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1,000
Trajectory Length (Steps)
GDM-AUG
636
730.5
825
919.5
Jul 11, 2025
Trajectory Length (Steps)
Atom Stability
Validity
Step Time (GPU sec.)
Updated 3mo ago
Evaluation Results
Method
Method
Links
Trajectory Length (Steps)
Atom Stability
Validity
Step Time (GPU sec.)
GDM-AUG
Traj. Len. (Steps)=1000
2025.07
1,000
77.7
91.8
-
GraphLDM
Traj. Len. (Steps)=1000
2025.07
1,000
76.2
97.2
-
EDM
Traj. Len. (Steps)=1000
2025.07
1,000
81.3
92.6
10.9
GeoLDM
Traj. Len. (Steps)=1000
2025.07
1,000
84.4
99.3
10.2
GeoLDM + GAGA
Backbone=GeoLDM, GAGA...
2025.07
800
-
-
7.9
EDM + GAGA
Backbone=EDM, GAGA app...
2025.07
650
-
-
6.4
Data
2025.07
-
86.5
99.9
-
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