Error

#2
by midgleyac - opened

Hello, thanks for running DiffDock as an in-browser tool, extremely convenient!
I'm getting back errors with certain SDF/Mol2 inputs. Is there a size restriction/cap on the ligand?

I'm seeing some errors related to RDKit processing of the molecules " can't kekulize mol. ", but I don't track individual jobs so I can't say for sure if those are yours.

This model is also available on superbio.ai and runs without errors: https://app.superbio.ai/apps/234?id=63a335cfaf3a0a1151c0fb77

simonduerr changed discussion status to closed

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