Support resources

Database for the ‘Build Loops with FREAD’ extension

The ‘Build Loops with FREAD’ extension is based on the FREAD structure prediction protocol developed by the University of Oxford1.

Flare V3 new science and improved results

Forge™: Using filters to create a data subset

How to use highly configurable filters in Forge™ to focus on molecules or create subsets within a project.

Updating Spark™ databases

PickR™: Diverse R-groups for Library Design

Introduction to PickR, a command line monomer selection tool for library design. See how PickR will efficiently select the best sub-set of monomers based on electrostatic and shape diversity in ...

Installing Flare™ Python extensions on Windows®

Flare features an API that enables its functionality to be extended with Python scripts. See how to install Python extensions for Flare on Windows.

Displaying Electrostatic Complementarity™ surfaces and calculating EC scores

See how you can use Flare™ to plot Electrostatic Complementarity (EC) maps for proteins and ligands, and calculate EC scores for protein ligand complexes.

Ensemble docking in Flare™

Cresset developed example KNIME node examples v2.5

Interfaces

Cresset Pipeline Pilot integration Cresset KNIME integration Cresset command line binaries

Building regression models in Forge™ V10.6

New Machine Learning methods in Forge significantly expand the range of available QSAR model building options, giving you more opportunities to build a predictive model useful in project work. See ...

Using classification models in Forge™ V10.6