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Diff of
/environment.yml
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--- a +++ b/environment.yml @@ -0,0 +1,13 @@ +channels: +- openbabel +- rdkit +dependencies: +- numpydoc +- six +- numpy>=1.8 +- scipy>=0.14 +- scikit-learn>=0.18 +- joblib>=0.8 +- pandas>=0.17.1 +- rdkit +- openbabel