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Table 1 Summary of widely used open-source cheminformatics toolkits

From: Cheminformatics Microservice: unifying access to open cheminformatics toolkits

Toolkit

Programming language

Latest version

Licence

Source code

Open Babel

C +  + 

3.1.1

GNU general public license (GPL)

https://github.com/openbabel/openbabel

CDK

Java

2.8.0

GNU lesser general public license v2.1

https://github.com/cdk/cdk

RDKit

C +  + , Python

2023.03.2

BSD 3-clause license

https://github.com/rdkit/rdkit

PIKAChU

Python

1.0.13

MIT license

https://github.com/BTheDragonMaster/pikachu

Indigo

C/C +  + 

1.11.0

Apache license 2.0

https://github.com/epam/Indigo