Update card: archive holds data and weights only

README.md

@@ -39,21 +39,18 @@ paper's tables and figures.
 | `dft/nwchem_outputs/` | raw NWChem B3LYP/def2-SVP + COSMO outputs, 40 single points covering 16 unique ions | SI Table S2 |
 | `dft/nwchem_inputs/`, `dft/geometries/` | the inputs and GFN2-xTB geometries those runs used | reproduction |
 | `checkpoints/` | trained weights for the reported models | Table 3 |
-| `analysis/scripts/` | the scripts that produce every revised number | see below |
-| `analysis/*.json` | their outputs, as reported in the paper | §4.1, Table 3 |
+| `analysis/*.json` | outputs of the bootstrap and seed-matched baseline runs, as reported in the paper | §4.1, Table 3 |
 | `experimental/` | characterization report and figures for the two synthesized salts | §5.2, SI §S2 |
-| `paper/` | the manuscript and the Supporting Information as submitted | — |
 
 ## Reproducing the analyses
 
-```bash
-python analysis/scripts/b5_chemprop_multiseed.py   # Chemprop over the 5 shared seeds -> Table 3
-python analysis/scripts/b6_cluster_bootstrap.py    # row-level and IL-level bootstrap -> Section 4.1
-```
-
-`analysis/b5_chemprop_multiseed.json` and `analysis/b6_cluster_bootstrap.json` are the
-outputs of those two scripts. `analysis/c1_official_bootstrap.json` is the original
-row-level bootstrap that the submitted paper reports alongside them.
+All code lives in the GitHub repository above; this archive holds only data and model
+weights. The scripts `scripts/revision/b5_chemprop_multiseed.py` (Chemprop over the five
+shared seeds, Table 3) and `scripts/revision/b6_cluster_bootstrap.py` (row-level and
+IL-level bootstrap, Section 4.1) read `dataset/` and `predictions/` from here and
+reproduce `analysis/b5_chemprop_multiseed.json` and `analysis/b6_cluster_bootstrap.json`.
+`analysis/c1_official_bootstrap.json` is the original row-level bootstrap that the paper
+reports alongside them.
 
 ## Notes on the data