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lines changed Original file line number Diff line number Diff line change @@ -77,9 +77,8 @@ We recommend to install it locally since Binder needs to be refreshed every time
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``` bash
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conda create -n DeepPurpose python=3.6
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conda activate DeepPurpose
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- conda install -c conda-forge notebook
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- pip install git+https://github.com/bp-kelley/descriptastorus
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- pip install DeepPurpose
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+ pip install git+https://github.com/bp-kelley/
[email protected]
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+ pip install git+https://github.com/sniperyyc/DeepPurpose
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```
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### Build from Source
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``` bash
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git clone https://github.com/kexinhuang12345/DeepPurpose.git # # Download code repository
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cd DeepPurpose # # Change directory to DeepPurpose
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- conda env create -f environment.yml # # Build virtual environment with all packages installed using conda
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+ pip install . # # Install DeepPurpose
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conda activate DeepPurpose # # Activate conda environment (use "source activate DeepPurpose" for anaconda 4.4 or earlier)
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jupyter notebook # # open the jupyter notebook with the conda env
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Original file line number Diff line number Diff line change 1
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rdkit-pypi
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+ notebook
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numpy
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pandas
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tqdm
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