Drug Design: AI tools and startups

AI Drug Discovery

Cleantech Research Center at NREL. NREL scientists Michael Crowley and Antti-Pekka Hynninen have developed algorithms that speed calculations done by the software tool CHARMM by several orders of magnitude, using code such as the one pictured. Using NREL's new petascale supercomputer housed in the Energy Systems Integration Facility, they can simulate t…