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ehoogeboom / e3_diffusion_for_molecules

MIT License
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Path to pretrained QM9 property classifiers is missing #21

Closed amorehead closed 10 months ago

amorehead commented 1 year ago

Hello. Thank you for sharing this great work with us all.

I noticed, after looking at the end of your README.md, that you are offering pretrained QM9 property classifier models within this repository. However, the path you specified at the end of the README does not exist, at least in the main branch for this project.

qm9/property_prediction/outputs/exp_class_alpha_pretrained

May I ask where we might find these checkpoints?

amorehead commented 1 year ago

For those interested in downloading trained checkpoints for the property classifier models described in the EDM manuscript, I have trained each of these six models and uploaded them to Zenodo in the record here: https://zenodo.org/record/7647653. I hope this helps!

ehoogeboom commented 10 months ago

Thanks retraining those models. I think the alpha one should be in exp_35_conditional_nf192_9l_alpha. Regardless thanks a lot.