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Update README.md
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hcji committed Oct 18, 2023
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Expand Up @@ -19,8 +19,8 @@ There are many types of chemical fingerprint for describing the molecule provide
- Create a predefined Python conda environment by `conda env create -f env/pyfingerprint_env.yml`.
- Activate conda environment and install with pip.

conda activate pyfingerprint
pip install git+https://github.com/hcji/PyFingerprint.git
conda activate pyfingerprint
pip install git+https://github.com/hcji/PyFingerprint.git

### Usage
#### Fingerprints for single molecule
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