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Merge pull request #33 from Steinbeck-Lab/dev-kohulan
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Dev kohulan
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CS76 authored Mar 16, 2023
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17 changes: 17 additions & 0 deletions CITATION.cff
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cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Venkata"
given-names: "Chandrasekhar"
orcid: "https://orcid.org/0000-0002-2564-3243"
- family-names: "Sharma"
given-names: "Nisha"
orcid: "https://orcid.org/0000-0000-0000-0000"
- family-names: "Rajan"
given-names: "Kohulan"
orcid: "https://orcid.org/0000-0003-1066-7792"
title: "cheminformatics-python-microservice"
version: v0.1.0 - prerelease
doi: 10.5281/zenodo.1234
date-released: 2023-03-16
url: "https://github.com/Steinbeck-Lab/cheminformatics-python-microservice"
21 changes: 21 additions & 0 deletions LICENSE
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MIT License

Copyright (c) 2023 Venkata Chandrasekhar Nainala, Nisha Shrama & Kohulan Rajan

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.
15 changes: 15 additions & 0 deletions README.md
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<p align="center"><a href="https://api.naturalproducts.net/" target="_blank"><img src="/public/img/logo.png" width="400" alt="CMS Logo"></a></p>

## 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).

## 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

## Citation
- Venkata, C., Sharma, N., & Rajan, K. (2023). cheminformatics-python-microservice (Version v0.1.0 - prerelease) [Computer software]. https://doi.org/10.5281/zenodo.1234

## Maintained by
Cheminformatics Micro Services and [Natural Products Online](https://naturalproducts.net) are developed and maintained by the Steinbeck group at the University Friedrich-Schiller in Jena, Germany.
The code for this web application is released under the [MIT license](https://opensource.org/licenses/MIT). Copyright © CC-BY-SA 2023
<p align="center"><a href="https://cheminf.uni-jena.de/" target="_blank"><img src="https://github.com/Kohulan/DECIMER-Image-to-SMILES/blob/master/assets/CheminfGit.png" width="800" alt="cheminf Logo"></a></p>
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