Update README.md
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README.md
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@@ -13,9 +13,9 @@ and similarities (Tanimoto distance between ECFP fingerprints).
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Example prompts:
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has a 0.62 similarity score to the given molecule.
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The model can be wrapped into an optimization loop to traverse the chemical space with evolving prompts.
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Example prompts:
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`</s>[START_SMILES]CC(=O)OC1=CC=CC=C1C(=O)O[END_SMILES][SAS]` will attempt to predict the synthetic accessibility score of the given molecule.
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`</s>[SAS]2.25[/SAS][SIMILAR]0.62 CC(=O)OC1=CC=CC=C1C(=O)O[/SIMILAR][START_SMILES]` will attempt to generate a molecule that has 2.25 SAS score and
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has a 0.62 similarity score to the given molecule.
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The model can be wrapped into an optimization loop to traverse the chemical space with evolving prompts.
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