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Update README.md

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@@ -21,10 +21,14 @@ task_ids: []
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  ---
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  ### dataset description
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- We downloaded PubChem-10m dataset from [here](https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/pubchem_10m.txt.zip) and canonicalized it using RDKit. And we removed some SMILES that cannot be read by RDKit.
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- We used the following function to canonicalize the data.
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-
 
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  from rdkit import Chem
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  def canonicalize(mol):
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  mol = Chem.MolToSmiles(Chem.MolFromSmiles(mol),True)
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- return mol
 
 
 
 
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  ---
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  ### dataset description
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+ We downloaded PubChem-10m dataset from [here](https://deepchemdata.s3-us-west-1.amazonaws.com/datasets/pubchem_10m.txt.zip) and canonicalized it.
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+ We used the following function to canonicalize the data and removed some SMILES that cannot be read by RDKit.
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+
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+ ```python:
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  from rdkit import Chem
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  def canonicalize(mol):
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  mol = Chem.MolToSmiles(Chem.MolFromSmiles(mol),True)
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+ return mol
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+ ```
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+
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+ We randomly split the preprocessed data into train and validation. The ratio is 9 : 1.