Update README.md

README.md

@@ -11,4 +11,30 @@ tags:
 pretty_name: MoleculeNet HIV
 size_categories:
 - 10K<n<100K
----
+---
+
+# MoleculeNet HIV
+
+HIV dataset [[1]](#1), part of MoleculeNet [[2]](#2) benchmark. It is intended to be used through 
+[scikit-fingerprints](https://github.com/scikit-fingerprints/scikit-fingerprints) library.
+
+The task is to predict ability of molecules to inhibit HIV replication.
+
+| **Characteristic** | **Description** |
+|:------------------:|:---------------:|
+|        Tasks       |        1        |
+|      Task type     |  classification |
+|    Total samples   |      41127      |
+|  Recommended split |     scaffold    |
+| Recommended metric |      AUROC      |
+
+## References
+<a id="1">[1]</a> 
+AIDS Antiviral Screen Data
+https://wiki.nci.nih.gov/display/NCIDTPdata/AIDS+Antiviral+Screen+Data
+
+<a id="2">[2]</a> 
+Wu, Zhenqin, et al.
+"MoleculeNet: a benchmark for molecular machine learning."
+Chemical Science 9.2 (2018): 513-530
+https://pubs.rsc.org/en/content/articlelanding/2018/sc/c7sc02664a