Metadata-Version: 2.1
Name: c3p
Version: 0.1.1
Summary: CHEBI Classification Programs
Author: Chris Mungall
Author-email: cjm@berkeleybop.org
Requires-Python: >=3.9,<4.0
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Provides-Extra: eval
Provides-Extra: learn
Provides-Extra: oaklib
Requires-Dist: jupyter ; extra == "eval"
Requires-Dist: llm ; extra == "learn"
Requires-Dist: matplotlib ; extra == "eval"
Requires-Dist: oaklib ; extra == "oaklib"
Requires-Dist: plotly ; extra == "eval"
Requires-Dist: rdkit (>=2024.3.5,<2025.0.0)
Requires-Dist: seaborn ; extra == "eval"
Requires-Dist: typer (>=0.14.0,<0.15.0)
Description-Content-Type: text/markdown

# C3PO: CHEBI Classification Programs Ontology

Learning classification programs to categorize SMILES strings into [CHEBI](https://www.ebi.ac.uk/chebi/) classes.

![logo](docs/assets/c3p-small.png)

See [Slides](https://docs.google.com/presentation/d/1VJvRptWu6FhTTmZGM4X3ymbxn9JwYPWDUp9djfMfDao/edit#slide=id.p)

## Usage

```bash
pip install c3p
c3p -x "CC1=CC=C(C=C1)C1=C(C#N)C2=NC3=CC=CC=C3N2C(N)=C1C#N"
```

## Learning Programs

All code in Notebook

Example [generated programs](c3p/programs/)

