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Benchmarks
E1-CC2 on QM8 (5-fold cross-validation)
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3.6
Representation Construction Time (s)
Morgan FPs
-34.9156
225.0647
485.045
745.0253
Jun 24, 2018
Representation Construction Time (s)
Updated 4d ago
Evaluation Results
Method
Method
Links
Representation Construction Time (s)
Morgan FPs
Hardware=CPU
2018.06
3.6
Graph, Emb
Hardware=GPU
2018.06
33.43
Weave
Hardware=GPU
2018.06
262.16
GCNN
Hardware=GPU
2018.06
382.72
WL
Hardware=CPU
2018.06
584.98
Vertex, Emb
Hardware=GPU
2018.06
966.49
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