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Rewrite adaptive_criteria() to read Rosetta energy, shape complementarity, and AlphaFold pLDDT scores from pipeline output files and compare them against configurable thresholds. Rewrite adaptive_decision() to set pipeline.step_id based on the threshold check. Update run() to gate the rfd3 backbone diffusion step on step_id, so passing passes skip straight to sequence design (mpnn). Co-Authored-By: Claude Sonnet 4.6 <noreply@anthropic.com>
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Unassigning review and assigning task resp to me, as I'm making more functional updates to the code before PR should go. |
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Add the small molecule binder pipeline.