How many samples are generated in the GEOM-drugs experiment?

ehoogeboom / e3_diffusion_for_molecules

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Closed DongkiKim95 closed 10 months ago

DongkiKim95 commented 1 year ago

Hello, I am enjoying your paper, and thank for your nice work!

I have a minor question. How many samples are generated in the GEOM-drugs experiment (Table 4)? Is it 10000 like the QM9 experiment?

ehoogeboom commented 10 months ago

Jep, those samples are in this repo somewhere, together with the python analyze file.