novelty in QM9 dataset is so small, why?
FairyFali opened this issue · comments
Hello, as explained in the table of the paper, " Training time is the time needed to reach 99% validity. "
Novelty is so small because QM9 is an exhaustive enumeration of molecules that satisfy some constraints. Cf section 5.4 of https://arxiv.org/pdf/2110.02096.pdf for a discussion of why high novelty is not a good thing for QM9