ml-struct-bio / drgnai

GNU General Public License v3.0
17 stars 2 forks source link

No analyses available for homogeneous reconstruction! #1

Open RajShekhorRoy opened 3 months ago

RajShekhorRoy commented 3 months ago

Hi,

When I am running cryodrgn for homogenous reconstruction, I noticed that for some targets there is nothing inside the "analysis" folder and when I try to do analyze manually it prompts me with this message "No analyses available for homogeneous reconstruction!".Is this an expected behavior?

And the final output of the software is the reconstructed model in the very last epoch like "cryodrgn abinit_homo" right ?

Regards, Raj

michal-g commented 1 hour ago

Hi Raj, sorry for the late reply — this is currently expected behaviour when running homogeneous reconstruction (z_dim=0), we may add some analyses for these types of experiments in the future but for now analyze is only for heterogeneous reconstruction (z_dim>0).

Depending on the type of model used, (het vs homo, abinit vs fixed) different types of outputs will appear in the output folder — but the final output of drgnai train should indeed be these outputs for the last epoch of training. If you are using an older version of DRGN-AI, the very last epoch will not always be saved unless every epoch is saved (by setting log_heavy_interval=1 in configs.yaml) but in newer versions the last epoch should be saved every time!

-Mike