Metadata-Version: 2.4
Name: smiles-fp
Version: 0.1.2025.3.5
Summary: Multithreaded Tanimoto Similarity for RDKit Fingerprints.
Requires-Python: <3.14,>=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy<2.0
Requires-Dist: rdkit==2025.03.5
Provides-Extra: dev
Requires-Dist: joblib; extra == "dev"
Requires-Dist: tqdm; extra == "dev"
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-benchmark; extra == "dev"
Dynamic: license-file

# smiles-fp

## Installation

```bash
# 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
```
