pyKVFinder

secondsPaperCodeProduction Ready

Detect and characterize biomolecular cavities

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: production_ready_cpu_cavity_detection
Storage: <5
Strategy: compiled/binary SIF or shared python312_slim + ext3 overlay
Next: Validate a user-uploaded PDB/XYZ from the web UI; optional hydropathy mode is exposed through settings.

SOP validation used upstream pyKVFinder revision e1f6e43f10677f8ff95c736a2dc8534aeb6cdd28 at /media/nik/seagate_nik/bio_server/tools/pykvfinder/source with venv /home/nik/bio_server_venvs/pykvfinder. Standalone Slurm job 346 and API Slurm job 347 completed on CPU using bundled 1FMO.pdb. API job produced 1FMO.KVFinder.output.pdb, 1FMO.KVFinder.results.toml, parameters TOML, KVFinder.log, results.csv, summary.json, and Slurm logs. Cavity PDB contains 5050 atom/HETATM records and estimated 18 cavity tags.