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The open source KNIME workflow system is popular in cheminformatics for data analysis, statistics and visualization. KNIME runs as a graphical desktop application, but can also be used on the command line.
KNIME workflows are written as a dataflow, connecting a series of operations passing table-based data items. A typical workflow operation will extend the table by adding new columns (e.g. calculated properties) or summarize inputs to a new, smaller table.
KNIME have rich visualization and plotting for supported data types, and allow each operation to be run step by step, or when data or services have changed, re-run all dependent upstream operations as in a
A KNIME workspace contain a workflow and the data values produced by the latest executions, and can be shared as a ZIP file or folder. KNIME can be extended with plugins developed in Java.
KNIME is heavily used in Open PHACTS and by pharmacological companies.