best validation score & some other variations

[AxelGiottonini]

Hello!

I was working with your code and found out that the best validation score used in the project (val_complex_rmsd_median) differs from what is enunciated in the article presenting EquiDock (val_ligand_rmsd_median). Is there any reason behind this choice or am I misinterpreting something ?

equidock_public/src/train.py

Line 372 in ac2c754

if val_complex_rmsd_median < best_val_rmsd_median * 0.98: ## We do this to avoid "pure luck"