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/environment.yml
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| a | b/environment.yml | ||
|---|---|---|---|
| 1 | channels: |
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| 2 | - openbabel |
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| 3 | - rdkit |
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| 4 | dependencies: |
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| 5 | - numpydoc |
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| 6 | - six |
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| 7 | - numpy>=1.8 |
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| 8 | - scipy>=0.14 |
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| 9 | - scikit-learn>=0.18 |
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| 10 | - joblib>=0.8 |
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| 11 | - pandas>=0.17.1 |
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| 12 | - rdkit |
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| 13 | - openbabel |