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[Improvement] Adds scores to the example provided in the readme.md #13

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[Improvement] Adds scores to the example provided in the readme.md #13

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2 changes: 1 addition & 1 deletion README.md
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Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,7 @@ from molskill.scorer import MolSkillScorer
smiles_strs = ["CCO", "O=C(Oc1ccccc1C(=O)O)C"]

scorer = MolSkillScorer()
scores = scorer.score(smiles_strs)
scores = scorer.score(smiles_strs) # [ 19.531034 -11.309371]
```

We provide and use by default a pre-trained model on all the data that was collected during the original study. If a user wants to train custom models, please check the `train.py` script also included under this repository.
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