Add SST2 binding affinity results

README.md

@@ -109,12 +109,13 @@ Train/test 8:2, val 10% from train, 1:4 positive:negative ratio.
 | Split | R² | Pearson | RMSE | MAE |
 |:-----:|:--:|:-------:|:----:|:---:|
 | Random | 0.312 | 0.600 | 0.742 | 0.499 |
-| Scaffold | 0.078 | 0.532 | 1.154 | 0.821 |
+| Scaffold | 0.006 | 0.236 | 0.632 | 0.551 |
 
-Train/test 9:1, val 10% from train. Scaffold split by Murcko scaffolds.
+Train/test 8:2, val 10% from train. Scaffold split by Murcko scaffolds.
 
 <p align="center"><img src="assets/tsne_sst2_splits.png" width="800"></p>
 
+
 ## Citation
 
 ```bibtex