Pharmit

30-60 minutesPaperCodeNeed >20GB

Pharmacophore search of the ChEMBL public compound library or your own SDF

Readiness

Readiness: Need >20GB
Smoke: not_tested
Artifacts: not_applicable
Production: need_gt20gb_pharmit_chembl_nci_database_pending
Storage: >20
Strategy: large Pharmit C++ service SIF + ChEMBL/NCI database/index storage
Next: For production ChEMBL/NCI Pharmit, allocate >20GB database/index storage, build Pharmit service stack with OpenBabel/Boost/smina/etc., stage databases, run direct query smoke, then wire runner. Split upload-only micro-library as separate scoped runner if desired.

No obvious large model/database dependency identified; validate upstream docs before install. 2026-07-05 SOP batch recheck: backend inventory found no staged Pharmit service/build/database/artifacts/runner. Catalog form defaults to ChEMBL/NCI database behavior, while public Pharmit production scope covers hundreds of millions of compounds and over a billion conformations. Reclassified from Smoke Pending to Need >20GB.