Add provisional notice

README.md

@@ -0,0 +1,29 @@
+---
+pretty_name: Provisional ligand–pocket collection
+---
+# Provisional — do not use
+
+This dataset is provisional and **should not be used by anyone at this point**.
+Licensing for one of the source datasets remains unresolved. No dataset license
+is assigned by this repository. Included source-license notes are provenance,
+not a grant of rights to the combined collection.
+
+This is the final canonical heavy-atom collection and the exact packed runtime
+cache used by FSBFPocket. Preparation/training/sampling code and definitions are
+in https://github.com/MurrellGroup/FSBFPocket . The corrected annotation schema is
+`pli-interaction-evidence-v2-all-scopes`: ligand–ligand, ligand–protein, and
+protein–protein interactions, symmetric order-invariant ring-plane tests, and
+explicit uncertainty. These are geometric annotations, not measured bonds.
+
+The collection contains 1,240,225 records: 597,749 GEOM-Drugs conformers,
+500,000 ProFSADB fragments, 94,381 BindingNet docked examples and 48,095 PLINDER
+examples including peptides. The manifest distinguishes origins and ligand
+classes. Seven confirmed PLINDER defects are retained for provenance but
+excluded by the training admission policy in the code.
+
+Use the GitHub download command to verify and extract the artifacts.
+The full portable collection includes provenance, original structures, primary
+heavy-atom arrays and rich annotation evidence. The packed cache contains all
+inputs and split assignments needed for training; original source downloads
+are not required to train. Older annotation files inside the portable archive
+are provenance only: the reader and training use the corrected v2 annotations.