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Add rdkit-pypi package
Signed-off-by: shiyu22 <shiyu.chen@zilliz.com>
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2 changed files with
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7 deletions
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README.md
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requirements.txt
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@ -18,13 +18,6 @@ This operator uses [RDKit](https://www.rdkit.org/docs/index.html) to generate th |
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## Code Example |
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## Code Example |
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> Before running the following code, you need to install rdkit, refer to https://www.rdkit.org/docs/Install.html. |
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> |
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> ``` |
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> # install rdkit with conda |
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> $ conda install -c conda-forge rdkit |
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> ``` |
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An example that use the Morgan algorithm to generate a fingerprint of the molecular formula 'Cc1ccc(cc1)S(=O)(=O)N'. |
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An example that use the Morgan algorithm to generate a fingerprint of the molecular formula 'Cc1ccc(cc1)S(=O)(=O)N'. |
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*Write the pipeline in simplified style:* |
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*Write the pipeline in simplified style:* |
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