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Update installation steps to work in 2023
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@@ -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 | ||
``` | ||
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### Build from Source | ||
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@@ -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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rdkit-pypi | ||
notebook | ||
numpy | ||
pandas | ||
tqdm | ||
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