ABodyBuilder3

secondsPaperCodeProduction Ready

Antibody structure prediction

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: production_validated_runner_api_slurm_abodybuilder3
Storage: <5
Strategy: shared PyTorch SIF + tool ext3 overlay; avoid per-tool torch duplication
Next: Production Ready. Optional hardening: expose checkpoint selection, confidence output, and optional OpenMM cleanup/refinement once the OpenMM/NumPy ABI is rebuilt cleanly.

Model import failed due missing lightning dependency in overlay. 2026-07-09T02:10:27+08:00 SOP production validation: promoted from Production Blocked to Production Ready. Installed the missing ABodyBuilder3 runtime layer into the existing abb3 overlay with a lightweight lightning.pytorch compatibility shim, staged official Zenodo output.tar.gz checkpoints under /media/nik/seagate_nik/bio_server/tools/abodybuilder3/repo/output, and validated upstream Exscientia/ABodyBuilder3 inference through Ubuntu runner API job 52364a16418c / Slurm job 580. The job used /media/nik/seagate_nik/bio_server/tools/abodybuilder3/container/python39.sif and abb3_overlay.img, loaded output/plddt-loss/best_second_stage.ckpt, and produced summary.json, results.csv, abodybuilder3_result.json, run_abodybuilder3.py, logs, and abodybuilder3_model.pdb with 1,717 ATOM records, 229 residues, 139,157 bytes, and heavy/light chain records. Slurm completed; stderr only contained a Lightning checkpoint-version warning.