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chenruduan / OAReactDiff

An object-aware diffusion model for generating chemical reactions
MIT License
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The confidence model mentioned in the article could not be found #2

Closed Romarin87 closed 7 months ago

Romarin87 commented 7 months ago

Hello, I want to try the confidence model mentioned in the article to do some tests, but I did not find it, for example, ddpm-epoch=2074-val-totloss=531.18.ckpt in generate_confidence_sample.py.

chenruduan commented 7 months ago

Thanks for the interest! I uploaded the confidence model to https://zenodo.org/records/11118125. It is a ConfModule object, which inherent from LightningModule. So it can be used in a similar way as the diffusion model checkpoint.