Compare Ligand Sets 

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

Unique Title Check 

Checks that each molecule title is unique within the selected column.

Table to Spark Streamable

Creates a Spark DataFrame/RDD from the KNIME data table.

Prime Energy 

Evaluate the energy and its components for one or more proteins

Snowball Stemmer Deprecated

Stems terms with the Snowball stemmer.

Column Auto Type Cast 

Converts a column of type String to a Numeric or Date type, if and only if all entries could be converted.

Spark H2O MOJO Predictor (Classification) (legacy) 

Classifies an incoming Spark DataFrame/RDD using a MOJO.

REOS Filter 

Filter a list of target molecules against REOS rules

Table Row to Variable Deprecated

Defines new flow variables based on the first row of the input table and exposes them using a variable connection.

PySpark Script (1 to 1) 

Execute arbitrary Python code in Spark.