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Update installation steps to work in 2023
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sniperyyc committed Oct 21, 2023
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7 changes: 3 additions & 4 deletions README.md
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Expand Up @@ -77,9 +77,8 @@ We recommend to install it locally since Binder needs to be refreshed every time
```bash
conda create -n DeepPurpose python=3.6
conda activate DeepPurpose
conda install -c conda-forge notebook
pip install git+https://github.com/bp-kelley/descriptastorus
pip install DeepPurpose
pip install git+https://github.com/bp-kelley/[email protected]
pip install git+https://github.com/sniperyyc/DeepPurpose
```

### Build from Source
Expand All @@ -88,7 +87,7 @@ First time:
```bash
git clone https://github.com/kexinhuang12345/DeepPurpose.git ## Download code repository
cd DeepPurpose ## Change directory to DeepPurpose
conda env create -f environment.yml ## Build virtual environment with all packages installed using conda
pip install . ## Install DeepPurpose
conda activate DeepPurpose ## Activate conda environment (use "source activate DeepPurpose" for anaconda 4.4 or earlier)
jupyter notebook ## open the jupyter notebook with the conda env

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1 change: 1 addition & 0 deletions requirements.txt
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@@ -1,4 +1,5 @@
rdkit-pypi
notebook
numpy
pandas
tqdm
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