dkatzel-ncats/molwitch

Which Internal Toolkit for CHemicals

MolWitch is a Bridge Pattern wrapper around various cheminformatics toolkit so that users can change the underlying toolkit at runtime without changing any client code.

For example using Chemaxon's Jchem if someone has a license but allow others without to use the open source CDK.

#Available on Maven Central Usually, one needs to add 2 dependencies: This adds the API.

<dependency>
  <groupId>gov.nih.ncats</groupId>
  <artifactId>molwitch</artifactId>
  <version>0.5.2</version>
</dependency>

There also needs to be a molwitch implementation

To add CDK:

<dependency>
        <groupId>gov.nih.ncats</groupId>
        <artifactId>molwitch-cdk</artifactId>
        <version>1.0</version>
</dependency>