docs: add immutable resource card

README.md

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+---
+pretty_name: NPPI-Net reproducibility resources
+license: other
+task_categories:
+  - tabular-regression
+tags:
+  - natural-products
+  - protein-ligand-interaction
+  - molecular-embeddings
+  - protein-embeddings
+size_categories:
+  - 10K<n<100K
+---
+
+# NPPI-Net reproducibility resources
+
+This dataset repository contains the exact large inputs used by the retained
+NPPI-Net S1-S4 result chain. Source code, fixed split manifests, paper
+configurations, raw metrics, and verification scripts are published separately
+in
+[`Cai-z-us/natural-product-protein-interact`](https://github.com/Cai-z-us/natural-product-protein-interact).
+Paper tables and images are not duplicated here.
+
+## Files
+
+| Path | Purpose | Bytes | SHA256 |
+| --- | --- | ---: | --- |
+| `data/dataset_all.csv` | canonical headerless interaction dataset | 23,281,585 | `0bef27914ed06e5fe0af9ad64ecd16f27d007369b738f65240795505708d8017` |
+| `data/external/uniprot_human_reviewed.fasta` | exact historical reviewed-human UniProtKB snapshot | 13,663,585 | `89b398077ec571c34bd67fd10fc1640eeae37d1421d6f84c3a8a94e1db88dac3` |
+| `data/mol/unimol_v2_1.1B.pth` | pooled Uni-Mol2 molecule representations | 1,460,616,917 | `f87c3673e911e1cc21022e4c4ddcb40cfb2b9ee4e355899ba02f60ae21ad83da` |
+| `data/prot/proteinglm_xtmlm_1b.pth` | pooled ProteinGLM protein representations | 9,691,794,119 | `1abb24b598db851733b7345618284aab78ef0ce4d431b454878fa63451d20cb4` |
+
+The CSV has 32,802 rows, 8,959 unique molecule identifiers, 1,860 unique
+protein identifiers, and no header. Its ten columns are, in order:
+`mol_id`, `smiles`, `uniprot_id`, `sequence`, `pchembl`,
+`standard_relation`, `standard_value_nM`, `standard_units`, `standard_type`,
+and `confidence_score`.
+
+The retained model consumes pooled `float32` vectors only: 1,536 dimensions
+for molecules and 2,048 for proteins. Token inputs are disabled in the paper
+configuration.
+
+## Download and verify
+
+From the root of a clone of the source repository:
+
+```bash
+hf download Caizus/natural-product-protein-interact \
+  --repo-type dataset \
+  --revision d67ea7b4f75b35f1f362caebcd3d5565cedc16dc \
+  --local-dir .
+sha256sum --check SHA256SUMS
+uv run --frozen python scripts/verify_resources.py --deep
+```
+
+`scripts/verify_resources.py` checks byte size, SHA256, schema, key alignment,
+pooled dimensions, and dtypes against
+`artifacts/resources/manifest.yaml`. PyTorch files are opened with the
+restricted `weights_only` loader.
+
+## Provenance
+
+- The canonical interaction dataset was built from ChEMBL 34 and a reviewed
+  human UniProtKB snapshot. The exact FASTA is published above because the
+  historical UniProt release response header was not retained; its byte
+  identity, rather than an inferred release number, is authoritative.
+- The molecule file was generated with `unimol-tools==0.1.5` and Uni-Mol2
+  1.1B. The package wheel and final output are content-addressed in the source
+  repository.
+- The protein file was generated from
+  `biomap-research/proteinglm-1b-mlm` at revision
+  `676c1bcb9f737c166a25587f83fd580610acb1ad`.
+
+See
+[`ARTIFACTS.md`](https://github.com/Cai-z-us/natural-product-protein-interact/blob/main/ARTIFACTS.md),
+[`DATASET.md`](https://github.com/Cai-z-us/natural-product-protein-interact/blob/main/DATASET.md),
+and
+[`THIRD_PARTY_NOTICES.md`](https://github.com/Cai-z-us/natural-product-protein-interact/blob/main/THIRD_PARTY_NOTICES.md)
+for the full build and attribution record.
+
+## Terms
+
+This repository contains artifacts with different governing terms; the
+project's future source-code license does not replace them.
+
+- ChEMBL-derived dataset content is subject to ChEMBL 34's CC BY-SA 3.0 terms
+  and required attribution.
+- UniProt-derived content is subject to CC BY 4.0 attribution.
+- Uni-Mol tooling/model attribution is retained; applicable source-data terms
+  continue to apply to the generated molecule representations.
+- ProteinGLM is CC BY-NC 4.0. The generated protein representations must be
+  treated as noncommercial material and must not be advertised as unrestricted
+  commercial assets.
+
+No additional artifact-wide license is asserted beyond those file-specific
+terms while the authors finalize the paper release metadata.