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Add chemical clustering code #4

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8 changes: 7 additions & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -23,6 +23,12 @@ This package is basically a wrapper / guide for using various packages such as S
```bash
git clone [email protected]:choderalab/harbor.git
cd harbor
mamba env create -f devtools/environment_macos.yml

# this creates a mamba / conda environment and install all the packages needed for the program
mamba env create -f devtools/environment.yml

# this installs harbor into the harbor environment
# use pip install -e. if you want to develop it and have it be an editable install
conda activate harbor
pip install .
```
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