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cheminfo / openchemlib-js

JavaScript port of OpenChemLib
https://cheminfo.github.io/openchemlib-js/index.html
BSD 3-Clause "New" or "Revised" License
71 stars 21 forks source link

Expose Transformer in JS #144

Closed lpatiny closed 1 year ago

lpatiny commented 1 year ago

Would be great to expose

https://github.com/Actelion/openchemlib/blob/master/src/main/java/com/actelion/research/chem/reaction/Transformer.java

This would allow to predict fragmentation in mass spectrometry.