Which Internal Toolkit for CHemicals
MolWitch is a Bridge Pattern wrapper around various Cheminformatics Toolkits so that users can change the underlying toolkit at runtime without changing any client code.
Usually, one needs to add multiple dependencies for both molwitch as well as the underlying toolkit:
This adds the API.
<dependency>
<groupId>gov.nih.ncats</groupId>
<artifactId>molwitch</artifactId>
<version>0.6.1</versi
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on>
</dependency>
There also needs to be a molwitch implementation
To add molwitch-CDK :
<dependency>
<groupId>gov.nih.ncats</groupId>
<artifactId>molwitch-cdk</artifactId>
<version>1.0.8</version>
</dependency>
This project is Open Sourced under the Apache 2.0 However the underlying molwitch implementations may use different licences depending on the license of the underlying toolkit.