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Benchmarks
3D Molecule Generation on QM9 (TV Metrics and Strain Energy)
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0.9
TV (A)
END
0.752
1.751
2.75
3.749
Jun 12, 2025
TV (A)
TV (B)
Strain Energy (ΔE)
Updated 1mo ago
Evaluation Results
Method
Method
Links
TV (A)
TV (B)
Strain Energy (ΔE)
END
Steps=500
2025.06
0.9
0.7
10
END
Steps=1000
2025.06
0.9
1
9.7
END
Steps=250
2025.06
1
0.5
10.3
END
Steps=100
2025.06
1.1
1.5
11.1
END
Steps=50
2025.06
1.4
1.9
13.1
GEOLDM
Steps=1000
2025.06
1.6
1.3
10.4
EDM*
Steps=1000
2025.06
2.5
1.4
11.3
EDM*
Steps=500
2025.06
2.6
1.3
11.7
EDM*
Steps=250
2025.06
2.8
1.3
12.3
EDM*
Steps=100
2025.06
3.5
1.4
13.5
EDM*
Steps=50
2025.06
4.6
1.7
16.4
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