FEP+ result analysis
An overview (predictions together with ligand 2D structures) of a set of single edge FEP calculations is given, as well as analysis details (including error and conversion checks). This allows results to be labelled, triaged, filtered and additional data to be merged.
Nodes
Extensions
- FeatureKNIME Base nodes
- FeatureKNIME Excel Support
- FeatureKNIME JavaScript Views
- FeatureKNIME Javasnippet
- FeatureKNIME Math Expression (JEP)
- Show all 9 modules
Links
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