ProteinMPNN Score

1-5 minutesPaperCodeProduction Ready

Protein structure to sequence prediction

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: production_ready_cpu_proteinmpnn_score
Storage: <5GB
Strategy: shared PyTorch SIF + tool ext3 overlay; avoid per-tool torch duplication
Next: Production Ready. Optional hardening: support uploaded candidate FASTA/sequence scoring and chain-specific controls in the UI.

SOP validation reused upstream ProteinMPNN source at /media/nik/seagate_nik/bio_server/tools/proteinmpnn/repo and shared python312_slim.sif plus shared PyTorch CPU site-packages. Added real runner_tool proteinmpnn-score. API job 8e3e321d46e3 submitted to Slurm job 384 and completed using upstream protein_mpnn_run.py --score_only on bundled 5L33 PDB. Output included 5L33_pdb.npz with finite score/global_score arrays, results.csv, summary.json, stdout/stderr, parsed_pdbs.jsonl, and Slurm logs. Also restored compatibility symlink /media/nik/seagate_nik -> /media/nik/seagate_nik after external drive remounted under a different path.