knime-rdkit
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rdkit
The RDKit nodes for the KNIME Analytics Platform
There's a new "feature" in KNIME 3.5 that prevents loading of workflows created with a nightly build. While the issue is being fixed on KNIME we should simply remove the...
https://www.knime.com/forum/rdkit/rdkit-fragmenter-node-query
This would really be a fragment-based molecule builder node, but the first rule set would be the BRICS rules. The required C++ functionality for this may not yet be present,...
A node that uses either the BRICS or RECAP rules to fragment a molecule. We'll need to add RECAP definitions to the RDKit first An optional input port could be...