Streamline complex research workflows with ease
KNIME has established itself as the leading open-source data pipelining tool, and provides an ideal platform for researchers looking for a way to combine best-of-breed technologies from commercial software, academic programs, and in-house code. It incorporates many nodes for data manipulation, mining and plotting. Additionally, many extensions have been made available by the community, such as Rdkit or R-scripts nodes.
Schrödinger KNIME extension includes more than 160 nodes and provides access to a wealth of ligand- and structure-based tools from the Schrödinger Suite. Glide, Prime, Desmond, Phase, MacroModel, Jaguar, and other programs and utilities have Schrödinger nodes that enable core functionality. Complex workflows can be constructed to bring molecules through a series of different tools that run structural optimization and compute energetic, which can then easily be combined to build models and improve the accuracy of predictions.
Additionally, Schrödinger KNIME Extensions are distributed with a number of workflow examples that enable a variety of sophisticated experiments. KNIME’s extensible nature, combined with its easy-to-use interface and the power of Schrödinger software, make Schrödinger KNIME Extensions a powerful platform for workflow automation, model building, and data analysis.