Inquiry Regarding the Creation of the qm9_second_half Dataset

ehoogeboom / e3_diffusion_for_molecules

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Inquiry Regarding the Creation of the qm9_second_half Dataset #35

Closed yanliang3612 closed 3 months ago

yanliang3612 commented 4 months ago

Hi,

I am currently studying your work presented in the EDM paper and am particularly interested in the qm9_second_half dataset. Could you please share insights on how this dataset was created? Understanding its creation process is crucial for my research.

Thank you for your time and assistance.

Best regards,

Divin

ehoogeboom commented 3 months ago

In our paper section 5.2 might help, and it could also help reach out to Victor directly, he created the dataset.