ValueError: operands could not be broadcast together with shapes (19,19) (2861,2861) about umol HOT 3 CLOSED

Hi,

It appears you have some big shape mismatches here. I am not sure why this, but suggest making sure you are using the same protein and ligands at all steps.

from umol.

Thanks for your replied!

Now, I can predict them on colab notebook. But I still have some problem on local.

Mainly about the process of "convert id_esmfold.pdb to id_pred_raw.pdb"

The <predict.py> script seems like dont need input pdb structure file, does it can predict automatically? Or did I missed someting?

from umol.

Hi, great.
No PDB structure is needed as input - only your protein sequence and ligand SMILES string. See the example.
Hope this helps!

from umol.