PubChem Search

5-30 minutesCodeNeed >20GB

Search PubChem database to find similar molecules

Readiness

Readiness: Need >20GB
Smoke: not_tested
Artifacts: not_applicable
Production: need_gt20gb_pubchem_database_index_pending
Storage: >20
Strategy: compiled/binary SIF or shared python312_slim + ext3 overlay
Next: Decide PubChem local-index scope, allocate >20GB shared database/index storage, stage PubChem compound source plus FPSim2/RDKit index, then run direct Slurm similarity benchmark before runner wiring.

No obvious large model/database dependency identified; validate upstream docs before install. 2026-07-05 SOP batch recheck: backend inventory found no staged PubChem source/index/SIF/artifacts/runner. Full PubChem local similarity search requires large compound source plus fingerprint index materialization; current PubChem scale exceeds the small shared-SIF-only path. Reclassified from Smoke Pending to Need >20GB.