Update README.md
Browse files
README.md
CHANGED
|
@@ -71,9 +71,9 @@ For your screening, load the model, i.e. the **Activity Predictor** into your py
|
|
| 71 |
from src.prediction_pipeline load ActivityPredictor
|
| 72 |
|
| 73 |
# Define inputs
|
| 74 |
-
query_smiles = ["C1CCCCC1", "C1CCCCC1", "C1CCCCC1", "C1CCCCC1"]
|
| 75 |
-
support_actives_smiles = ["C1CCCCC1", "C1CCCCC1"]
|
| 76 |
-
support_inactives_smiles = ["C1CCCCC1", "C1CCCCC1"]
|
| 77 |
|
| 78 |
# Make predictions
|
| 79 |
predictions = predictor.predict(query_smiles, support_actives_smiles support_inactives_smiles)
|
|
|
|
| 71 |
from src.prediction_pipeline load ActivityPredictor
|
| 72 |
|
| 73 |
# Define inputs
|
| 74 |
+
query_smiles = ["C1CCCCC1", "C1CCCCC1", "C1CCCCC1", "C1CCCCC1"] # Replace with your data
|
| 75 |
+
support_actives_smiles = ["C1CCCCC1", "C1CCCCC1"] # Replace with your data
|
| 76 |
+
support_inactives_smiles = ["C1CCCCC1", "C1CCCCC1"] # Replace with your data
|
| 77 |
|
| 78 |
# Make predictions
|
| 79 |
predictions = predictor.predict(query_smiles, support_actives_smiles support_inactives_smiles)
|