# Predicting formation energy of small organic compounds

**URL:** <https://forum.knime.com/t/predicting-formation-energy-of-small-organic-compounds/61640>\
**Category:** KNIME Analytics Platform\
**Created:** [February 13, 2023, 12:01pm UTC](https://forum.knime.com/t/predicting-formation-energy-of-small-organic-compounds/61640 "2023-02-13T12:01:59Z")\
**Posts on this page:** 1\
**Showing post:** 2

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**Author:** ![Alice\_Krebs](https://forum-cdn.knime.com/user_avatar/forum.knime.com/alice_krebs/32/43061_2.png) [@Alice\_Krebs](https://forum.knime.com/u/Alice_Krebs)\
**Post date:** [February 13, 2023, 4:52pm UTC](https://forum.knime.com/t/predicting-formation-energy-of-small-organic-compounds/61640/2 "2023-02-13T16:52:21Z")

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Hi @Mazal

Welcome to the forum 🙂  
The only way to do so (at least that I am aware of) is to use Python and the according libraries within a [Python Scripting node](https://hub.knime.com/knime/extensions/org.knime.features.python3.scripting/latest/org.knime.python3.scripting.nodes.script.PythonScriptNodeFactory/). You can find more information on how to handle chemistry data types between KNIME and Python [HERE](https://forum.knime.com/t/announcing-the-interoperability-between-rdkit-and-python-in-knime-4-7/60416). There are no out-of-the-box nodes available for this.

Maybe also worth asking in the [Cheminformatics Section](https://forum.knime.com/c/special-interest-groups/cheminformatics/36) of the forum, I am unfortunately not an expert in this subject.

Best,  
Alice

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