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fix(rfo): limit MPNN to one highest-likelihood mutation - #417

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w-jiaqi wants to merge 2 commits into
RosettaCommons:productionfrom
w-jiaqi:rfo/mpnn-single-mutation
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w-jiaqi wants to merge 2 commits into
RosettaCommons:productionfrom
w-jiaqi:rfo/mpnn-single-mutation

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@w-jiaqi w-jiaqi commented Nov 10, 2026

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Fixes the RFO MPNN step to apply only the highest-likelihood single amino-acid substitution instead of replacing the entire sequence. Preserves fixed residues and partner chains, and adds regression tests for mutation selection and cycle handoff.

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