Compares and writes a file that contains a subset of structures in file1 and file2, depending on the selected mode Backend implem…

This node allows a column of Maestro, Sequence, or Alignment type to be "collapsed" or grouped by another column. It takes two co…

This node uses a column in the first input as a key to lookup data and concatenate either one or all columns from the correspondi…

Maestro cells in KNIME can contain more than object, whether it is a molecule (i.e., CT), Sequence, or Alignment. This MAE Expand…

Concatenates input of all input files in order of ports

Performs a very simple discretisation based on the value falling below a set value. If the boundary is set to 2 all values in the…

The Active-Site Ligand Extractor reads active sites from input nodes, such as the PDB Reader, and extracts the ligands of these b…

The ligand-Set Creator node creates a ligand-set from input trainig-, test- and ignored-set molecule tables.

The Ligand-Set Splitter node splits a ligand-set into pharmacophore solutions (if any) and respective trainig-, test- and ignored…