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Update README.md

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@@ -5,7 +5,9 @@ datasets:
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  language:
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  - en
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  metrics:
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- - r_squared
 
 
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  tags:
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  - chemistry
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  - pytorch
 
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  language:
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  - en
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  metrics:
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+ - name: r_squared
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+ type: r_squared
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+ value: 0.906
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  tags:
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  - chemistry
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  - pytorch