- Materials Science
MS Informatics
Efficient machine learning model builder for materials science applications
- Materials Science
Desmond
High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy
- Life Science
WScore
Advanced docking program that leverages explicit water information in the binding site to provide more accurate scoring of ligands
- Life Science
Virtual Screening Web Service
Virtual, novel hits from a billion-compound library delivered in one week
- Life Science
KNIME Extensions
Modular, highly configurable framework for easy workflow automation and data analysis
- Life Science
Shape Screening
Efficient ligand-based virtual screening of millions to billions of molecules
- Life Science
Modeling Services
Services for target enablement, hit discovery, ADMET liabilities, and crystal structure prediction