Publish current dataset release

Co-authored-by: paumateo <paumateo@users.noreply.huggingface.co>

.gitattributes

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+*tfevents* filter=lfs diff=lfs merge=lfs -text
+# Audio files - uncompressed
+*.pcm filter=lfs diff=lfs merge=lfs -text
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+# Audio files - compressed
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NOTICE.md

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+# Source and license notices: HIV
+
+## NCI AIDS Antiviral Screen
+
+Source: https://wiki.nci.nih.gov/display/NCIDTPdata/AIDS+Antiviral+Screen+Data
+
+Attribution: National Cancer Institute Developmental Therapeutics Program, AIDS Antiviral Screen (May 2004 release). MoleculeNet: Wu et al., DOI 10.1039/C7SC02664A.
+
+Source terms: https://www.cancer.gov/policies/copyright-reuse
+
+Credit the National Cancer Institute as the source. The DTP/NCI PubChem source record provides the NCI reuse terms.
+
+## Modifications
+
+Experimentally measured abilities of small molecules to inhibit HIV replication. Binary classification task. Features: Morgan fingerprints (radius=2). Split: scaffold-based 70/15/15 (DeepChem ScaffoldSplitter).
+
+TabBioMed preprocessing and stored benchmark partitions are described in metadata.json and https://github.com/AI-sandbox/TabBioMed. No original author endorsement is implied.

README.md

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+---
+pretty_name: HIV
+task_categories:
+- tabular-classification
+tags:
+- tabular
+- biomedical
+- benchmark
+- TabBioMed
+- drug-discovery
+- binary
+size_categories:
+- 10K<n<100K
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: data/train.parquet
+  - split: validation
+    path: data/val.parquet
+  - split: test
+    path: data/test.parquet
+---
+
+# HIV
+
+Part of **TabBioMed** (*TabBioMed: A Large-Scale Benchmark for Biomedical Tabular Learning*), a benchmark of 94 curated biomedical
+tabular datasets. Code, preprocessing and documentation: https://github.com/AI-sandbox/TabBioMed.
+
+Experimentally measured abilities of small molecules to inhibit HIV replication. Binary classification task. Features: Morgan fingerprints (radius=2). Split: scaffold-based 70/15/15 (DeepChem ScaffoldSplitter).
+
+| Domain | Task | Samples | Features | Classes |
+|---|---|---|---|---|
+| Drug Discovery | binary | 41,120 | 1,024 | 2 |
+
+**Splits.** Fixed train/val/test split (28783/6169/6168 rows).
+
+## Files
+
+- `data/**.parquet`: one row per sample. `row_idx` is the row index in the original
+  TabBioMed array; `f_<i>[_<name>]` are the features (in order); `target` (or `target_<j>`
+  for multi-target tasks) is the label. Categorical feature indices (0-based, among the
+  features): `[]`. Missing values are stored as nulls.
+- `metadata.json`: TabBioMed task metadata (task type, categorical indices, source, description).
+
+
+```python
+from datasets import load_dataset
+ds = load_dataset("TabBioMed/HIV")
+```
+
+A Croissant (1.1) description with Responsible-AI fields is distributed with the
+TabBioMed release.
+
+## Source and license
+
+- [NCI AIDS Antiviral Screen](https://wiki.nci.nih.gov/display/NCIDTPdata/AIDS+Antiviral+Screen+Data). National Cancer Institute Developmental Therapeutics Program, AIDS Antiviral Screen (May 2004 release). MoleculeNet: Wu et al., DOI 10.1039/C7SC02664A. [Source terms](https://www.cancer.gov/policies/copyright-reuse). Credit the National Cancer Institute as the source. The DTP/NCI PubChem source record provides the NCI reuse terms.
+
+See `NOTICE.md` for attribution and modifications.
+
+## Citation
+
+```bibtex
+@inproceedings{tabbiomed2026,
+  title     = {TabBioMed: A Large-Scale Benchmark for Biomedical Tabular Learning},
+  author    = {Mateo Bernad{\'o}, Pau and Polapragada, Saivenkata Nagavyjayanthi and Bonet, David and Arbiol Rakuljic, Pol and Mogas Pladevall, Laia and Comajoan Cara, Mar{\c{c}}al and Gonzalez Ferrer, Jesus and Abante, Jordi and Mas Montserrat, Daniel and Haussler, David and Ioannidis, Alexander G.},
+  booktitle = {Advances in Neural Information Processing Systems (NeurIPS), Evaluations and Datasets Track},
+  year      = {2026}
+}
+```

data/test.parquet

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metadata.json

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+{
+  "READY": true,
+  "name": "HIV",
+  "task": "binary",
+  "num_classes": 2,
+  "cat_idx": [],
+  "num_samples": 41120,
+  "num_features": 1024,
+  "imbalance_ratio": 27.4962,
+  "description": "Experimentally measured abilities of small molecules to inhibit HIV replication. Binary classification task. Features: Morgan fingerprints (radius=2). Split: scaffold-based 70/15/15 (DeepChem ScaffoldSplitter).",
+  "source": "MoleculeNet (https://moleculenet.org) — loaded via DeepChem.",
+  "label": "Drug Discovery",
+  "sub_labels": [
+    "Biophysics",
+    "Fingerprint"
+  ],
+  "license": null,
+  "license_url": null,
+  "source_licenses": [
+    {
+      "id": "hiv",
+      "title": "NCI AIDS Antiviral Screen",
+      "url": "https://wiki.nci.nih.gov/display/NCIDTPdata/AIDS+Antiviral+Screen+Data",
+      "license": null,
+      "license_url": null,
+      "terms_url": "https://www.cancer.gov/policies/copyright-reuse"
+    }
+  ]
+}