Train on custom dataset

[zhenzey]

Thanks for sharing the code! I was wondering whether it is possible to train the diffusion model on our own graph dataset? If so, can you provide an example?

[tuln128]

Hello @zhenzey
I have not tried the whole process yet, but I think you can follow the instructions on preparing the GEOM-Drugs dataset (https://github.com/ehoogeboom/e3_diffusion_for_molecules/tree/main/data/geom) to figure out how to make customized data usable in the framework.
Hope it helps,

[sevencheung2021]

Thanks for sharing the code! I was wondering whether it is possible to train the diffusion model on our own graph dataset? If so, can you provide an example?

Hello, I also want to train on my own dataset, I would like to know if you have succeeded in training this model on your own dataset?

[ehoogeboom]

Definitely possible, should not be crazy complicated. Unfortunately I don't have time to write supporting code/documentation for this.