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Signed-off-by: shiyu22 <shiyu.chen@zilliz.com>
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README.md
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@ -33,7 +33,7 @@ An example that use the Morgan algorithm to generate a fingerprint of the molecu |
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import towhee |
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import towhee |
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towhee.dc(['Cc1ccc(cc1)S(=O)(=O)N']) \ |
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towhee.dc(['Cc1ccc(cc1)S(=O)(=O)N']) \ |
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.molecular_fingerprinting.rdkit() \ |
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.molecular_fingerprinting() \ |
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.show() |
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.show() |
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``` |
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``` |
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<img src="./result1.png" height="35px"/> |
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<img src="./result1.png" height="35px"/> |
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@ -44,7 +44,7 @@ towhee.dc(['Cc1ccc(cc1)S(=O)(=O)N']) \ |
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import towhee |
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import towhee |
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towhee.dc['smiles'](['Cc1ccc(cc1)S(=O)(=O)N']) \ |
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towhee.dc['smiles'](['Cc1ccc(cc1)S(=O)(=O)N']) \ |
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.molecular_fingerprinting.rdkit['smiles', 'fingerprint']() \ |
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.molecular_fingerprinting['smiles', 'fingerprint']() \ |
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.show() |
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.show() |
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``` |
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``` |
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<img src="./result2.png" height="75px"/> |
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<img src="./result2.png" height="75px"/> |
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