Multithreaded Tanimoto Similarity for RDKit Fingerprints.
Project description
smiles-fp
Installation
# on Linux only
sudo apt install libfreetype-dev
git clone https://github.com/audivir/smiles-fp
cd smiles-fp
# set the correct RDKit version
python build_smiles_fp.py <smiles_fp_version> <rdkit_version>
pip install ".[dev]" # uv pip install ".[dev]"
pytest tests
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