Update README.md

README.md

@@ -9,11 +9,14 @@ license: apache-2.0
 short_description: Graph Isomorphism Network Baseline Classifier for Tox21
 ---
 
-# Tox21 Graph Isomorphism Network Classifier
+# Tox21 Graph Isomorphism Network (GIN) Classifier
 
 This repository hosts a Hugging Face Space that provides an examplary API for submitting models to the [Tox21 Leaderboard](https://huggingface.co/spaces/tschouis/tox21_leaderboard).
 
-In this example, we trained a GIN classifier on the Tox21 targets and saved the trained model in the `checkpoints/` folder.
+Here a [Graph Isomorphism Network(GIN)](https://arxiv.org/abs/1810.00826) is trained on the Tox21 dataset, and the trained models are provided for 
+inference. Model input is a SMILES string of the small molecule, and the output are 12 numeric values for 
+each of the toxic effects of the Tox21 dataset. 
+
 
 **Important:** For leaderboard submission, your Space needs to include training code. The file `train.py` should train the model using the config specified inside the `config/` folder and save the final model parameters into a file inside the `checkpoints/` folder. The model should be trained using the [Tox21_dataset](https://huggingface.co/datasets/tschouis/tox21) provided on Hugging Face. The datasets can be loaded like this:
 ```python