Metadata-Version: 2.2
Name: hermessmiles
Version: 0.1.4
Summary: SMILES comparison tool with overlap visualization
Home-page: https://github.com/srijitseal/hermessmiles
Author: Srijit Seal
Author-email: srijit@understanding.bio
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.7
Description-Content-Type: text/markdown
Requires-Dist: pandas
Requires-Dist: rdkit
Requires-Dist: Pillow
Requires-Dist: molvs
Requires-Dist: dimorphite-dl
Requires-Dist: loguru
Requires-Dist: pandarallel
Requires-Dist: datetime
Requires-Dist: pytest
Provides-Extra: test
Requires-Dist: pytest; extra == "test"
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: provides-extra
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<p align="center">
  <img src="assets/logo.png" alt="hermessmiles Logo" width="200"/>
</p>

<h3 align="center">
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.

</h3>



<br/>

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---

## 📌 Installation

```bash
pip install hermessmiles
```

---

## Usage
```bash
from hermessmiles.processor import SMILESProcessor, find_overlaps
from hermessmiles.visualizer import Visualizer
proc = SMILESProcessor()
df1 = proc.process("assets/df1.csv")
df2 = proc.process("assets/df2.csv")
overlaps = find_overlaps(df1, df2)
viz = Visualizer(overlaps, "output/results.html")
viz.render()
```

By default, the output HTML is saved as `overlap_structures_<timestamp>.html` in your working directory.
