Update README.md

README.md

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 license: apache-2.0
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+---
+license: apache-2.0
+---
+
+# MolScreen
+
+Graph neural network for early-stage molecular toxicity screening.
+
+Trained on the Tox21 dataset (7,823 compounds, 12 toxicity endpoints).
+Test mean ROC-AUC: 0.8525.
+
+**Live app:** https://mol-screen-32jrti5gpuajmd8wse5u3f.streamlit.app
+**GitHub:** https://github.com/vgoradia/mol-screen
+
+## Usage
+
+Load with PyTorch:
+
+    model = MolScreenGNN()
+    model.load_state_dict(torch.load('molscreen_best.pt'))