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Merge pull request #16 from asapdiscovery/hmacdope-patch-1
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Fix precision to one digit on ml model inference
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hmacdope authored Apr 2, 2024
2 parents 1c306e6 + 3694117 commit 32e3c10
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion falcbot/falcbot.py
Original file line number Diff line number Diff line change
Expand Up @@ -412,7 +412,7 @@ def make_pic50_pred(message, say, context, logger):
smiles = _rdkit_smiles_roundtrip(smiles)
gs = GATInference.from_latest_by_target(target)
pred = gs.predict_from_smiles(smiles)
say(f"Predicted pIC50 for {smiles} is {pred} using model {gs.model_name} :test_tube:")
say(f"Predicted pIC50 for {smiles} is {pred:.1f} using model {gs.model_name} :test_tube:")



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