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/examples/IC50/conda.yml
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| a | b/examples/IC50/conda.yml | ||
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| 1 | name: paccmann_predictor |
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| 2 | channels: |
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| 3 | - https://conda.anaconda.org/rdkit |
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| 4 | dependencies: |
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| 5 | - rdkit=2019.03.1 |
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| 6 | - python>=3.6,<3.8 |
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| 7 | - pip>=19.1 |
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| 8 | - pip: |
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| 9 | - pytoda==1.0.0 |
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| 10 | - numpy>=1.14.3 |
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| 11 | - scipy>=1.3.1 |
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| 12 | - torch>=1.7.1 |
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| 13 | - tqdm |
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| 14 | - pandas |
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| 15 |