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arneschneuing / DiffSBDD

A Euclidean diffusion model for structure-based drug design.
MIT License
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Config files for training publication models #8

Closed Dunni3 closed 1 year ago

Dunni3 commented 1 year ago

Hi,

Can you provide config files for the models that you trained for the publication? I'd like to be able to run your training script as it was run to produce publication results.

Congrats on putting out this awesome work and I appreciate the effort you've made to make this work accessible and reproducible.

Thanks, Ian

arneschneuing commented 1 year ago

Hi Ian,

thanks for this suggestion. I uploaded config files for all five models presented in the preprint (c4dab2b6fb85e1b3db4482824db21d69dfd62db8). I would however ask @yuanqidu, who performed the CrossDocked experiments, to confirm that the settings are correct.

Best, Arne

Dunni3 commented 1 year ago

Awesome, thank you for the quick response.