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verified publisher icon jwohlwend

Is there any plan to enable affinity calculations for protein-protein/binder complexes?

Open vymao opened this issue 7 months ago • 1 comments

As the title suggests, I'm looking to compute affinity scores for things that aren't strictly speaking small molecule ligands (ones that require SMILES strings), which I think Boltz-2 is currently limited to.

vymao avatar Jun 06 '25 23:06 vymao

Not at the moment! We only predict affinity for protein - small molecule ligands. You can use either SMILES or CCD for the ligand

jwohlwend avatar Jun 08 '25 15:06 jwohlwend