SMILES comparison tool with overlap visualization
Project description
# Hermessmiles
A tool to compare two CSV files of SMILES strings, find overlapping compounds by InChIKey prefix, and generate an HTML visualization of matching structures.
## Installation
```bash
pip install .
Usage
hermessmiles --file1 path/to/df1.csv --file2 path/to/df2.csv [--smiles-col SMILES]
By default, the output HTML is saved as overlap_structures_<timestamp>.html in your working directory.
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