egonw / bacting

Bacting is an open-source platform for chemo- and bioinformatics based on Bioclipse that defines a number of common domain objects and wraps common functionality, providing a toolkit independent, scriptable solution to handle data from the life sciences.
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reproduce scripts in "Applications of the InChI in cheminformatics with the CDK and Bioclipse" #119

Open egonw opened 6 months ago

egonw commented 6 months ago

Paper: https://link.springer.com/article/10.1186/1758-2946-5-14

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