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feat: add documentation
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Kohulan authored Mar 17, 2023
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[![tensorflow](https://img.shields.io/badge/TensorFlow-2.10.1-FF6F00.svg?style=flat&logo=tensorflow)](https://www.tensorflow.org)
[![RDKit badge](https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC)](https://www.rdkit.org/)
![Workflow](https://github.com/Steinbeck-Lab/cheminformatics-python-microservice/actions/workflows/dev-build.yml/badge.svg)
[![framework](https://img.shields.io/badge/Framework-FastAPI-blue?style)](https://fastapi.tiangolo.com/)
[![FastAPI Documentation](https://img.shields.io/badge/docs-fastapi-blue)](https://dev.api.naturalproducts.net/docs#/)
## Overview of Cheminformatics Micro Services

This set of essential and valuable microservices is designed to be accessed via API calls to support cheminformatics. Generally, it is designed to work with SMILES-based inputs and could be used to translate between different machine-readable representations, get Natural Product (NP) likeliness scores, visualize chemical structures, and generate descriptors. In addition, the microservices also host an instance of [STOUT](https://github.com/Kohulan/Smiles-TO-iUpac-Translator) and another instance of [DECIMER](https://github.com/Kohulan/DECIMER-Image_Transformer) (two deep learning models for IUPAC name generation and optical chemical structure recognition, respectively).

## Example usage

- Convertors

- SMILES to IUPAC name
```fastapi
https://dev.api.naturalproducts.net/converters/iupac?smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C
```
- SMILES to SELFIES
```fastapi
https://dev.api.naturalproducts.net/converters/selfies?smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C
```
- SMILES to mol (default: CDK)
```fastapi
https://dev.api.naturalproducts.net/converters/mol?smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C
```
```fastapi
https://dev.api.naturalproducts.net/converters/mol?smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C&generator=rdkit
```

- Chem

- Calculate Descriptors
```fastapi
https://dev.api.naturalproducts.net/chem/descriptors?smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C
```
- Depict molecule (default: CDK)
```fastapi
https://dev.api.naturalproducts.net/chem/depict?smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C
```
- Depict molecule with settings
```fastapi
https://dev.api.naturalproducts.net/chem/depict?smiles=CN1C=NC2=C1C(=O)N(C(=O)N2C)C&generator=rdkit&width=256&height=256&rotate=75
```

> **Note**
> For detailed documentation on how to use the API check [here](https://dev.api.naturalproducts.net/docs#/)
## License

This project is licensed under the MIT License - see the [LICENSE](https://github.com/Steinbeck-Lab/cheminformatics-python-microservice/blob/dev-kohulan/LICENSE) file for details
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