You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Nice work! I want to retrain this on my own new datasets. I found in the dataset_generation you mentioned Each script in Step 6 takes approximately 3 days to complete. Do you mean you run the step 6, which contains 15 iterations, for about 45 days with 24 CPU cores?
The text was updated successfully, but these errors were encountered:
Yes, that sounds right! Note that this compute cost was specifically for my particular dataset of ~1M molecules. Depending on the types of molecules you're interested in (# of atoms, # of rotatable bonds, etc), you could potentially need much fewer molecules to train the network -- the cost of this data generation would scale down linearly in that case.
It's also completely possible that I did not need all 1M molecules to train my published model; I did not analyze the model's performance degradation with decreasing dataset size.
Nice work! I want to retrain this on my own new datasets. I found in the dataset_generation you mentioned Each script in Step 6 takes approximately 3 days to complete. Do you mean you run the step 6, which contains 15 iterations, for about 45 days with 24 CPU cores?
The text was updated successfully, but these errors were encountered: