Remove compute section from README

README.md

@@ -95,27 +95,22 @@ Each compound was scored through:
 
 | Source | Parquet Dir | Compounds |
 |--------|-------------|-----------|
-| Enamine REAL |  | ~199M |
-| Existing (ZINC/ChEMBL) |  | ~666M |
-| PubChem |  | ~59M |
-| CPU Screen (ZINC) |  | ~99M |
+| Enamine REAL | data/enamine_real/ | ~199M |
+| Existing (ZINC/ChEMBL) | data/existing/ | ~666M |
+| PubChem | data/pubchem/ | ~59M |
+| CPU Screen (ZINC) | data/existing_cpu/ | ~99M |
 | **Total** | | **1,023,158,502** |
 
 ## Key Columns
 
--  - Canonical SMILES
--  - BBB permeability probability (0-1)
--  - CNS multi-parameter optimization score
-- , ,  - Key physicochemical descriptors
--  - Predicted pKa
--  - Efflux transporter affinity scores (8 proteins)
--  - Data source (enamine_real, existing, pubchem)
--  - Composite heuristic score
-
-## Compute
-
-- **924M compounds**: Azure ML, 8x NVIDIA A100 80GB GPUs (Standard_ND96amsr_A100_v4)
-- **99M compounds**: Azure ML, 64-core CPU (Standard_E64ds_v4), batched pKa + S1 efflux only (no PSICHIC)
+- `smiles_standardized` - Canonical SMILES
+- `p_bbb` - BBB permeability probability (0-1)
+- `cns_mpo_score` - CNS multi-parameter optimization score
+- `mw`, `logp`, `tpsa` - Key physicochemical descriptors
+- `pka_representative` - Predicted pKa
+- `efflux_*` - Efflux transporter affinity scores (8 proteins)
+- `provenance` - Data source (enamine_real, existing, pubchem)
+- `score_total` - Composite heuristic score
 
 ## Citation