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models.qa_metric.LocalPairwise is defined on the per-residue level, but as @arogozhnikov explained in chaidiscovery/chai-lab#52, they estimate per-atom PAEs for ligands and non-canonical amino acids/nucleotides (atom vs residue (for canonical polymers) and atom vs atom for ligands and non-canonical residues). It would be nice if we could extend the qa_metric.LocalPairwise definition.
The text was updated successfully, but these errors were encountered:
models.qa_metric.LocalPairwise
is defined on the per-residue level, but as @arogozhnikov explained in chaidiscovery/chai-lab#52, they estimate per-atom PAEs for ligands and non-canonical amino acids/nucleotides (atom vs residue (for canonical polymers) and atom vs atom for ligands and non-canonical residues). It would be nice if we could extend theqa_metric.LocalPairwise
definition.The text was updated successfully, but these errors were encountered: