From a02cc82fae968c3e0a4255adaeb41c1ae1c729be Mon Sep 17 00:00:00 2001
From: Mohamed Abd Elaleem <109590482+phalem@users.noreply.github.com>
Date: Thu, 10 Aug 2023 08:14:41 -0400
Subject: [PATCH] Add PCBA dataset (#68)

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 README.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/README.md b/README.md
index f9c0deb..fc85453 100644
--- a/README.md
+++ b/README.md
@@ -62,6 +62,8 @@ Contributions are very welcome - please follow the [guidelines](CONTRIBUTING.md)
 - [SOMAS](https://doi.org/10.6084/m9.figshare.14552697):  Experimental and calculated solubilities for small molecules. Originally proposed for the design of redox-flow batteries.
 - [Therapeutic Data Commons](https://tdcommons.ai/overview/): ML tasks that cover small molecules and biologics, including antibodies, peptides, miRNAs, and gene editing therapies. Original data can be found [here](https://doi.org/10.7910/DVN/21LKWG).
 - [ThermoML Archive](https://www.nist.gov/mml/acmd/trc/thermoml/thermoml-archive): experimental thermophysical and thermochemical property data (in ThermoML XML format)
+- [LIT-PCBA](https://drugdesign.unistra.fr/LIT-PCBA/): A dataset for virtual screening and machine learning. It contain 15 target sets, 7761 actives and 382674 unique inactives selected from high-confidence PubChem Bioassay data.
+
 
 ## Target identification data