Recursion Pharmaceuticals, Inc.
PREEMPTIBLE-BASED SCAFFOLD HOPPING

Abstract:

Method and apparatus for molecular scaffold hopping. Sending instructions, from an interface of a scheduler computer to a job runner computer, the instructions prepared by a processor of the scheduler computer, to perform a plurality of separate computational tasks, wherein each of the separate computational tasks includes calculating one or more chemical properties for a query molecule or for molecules in a library of molecules, wherein one or more of the plurality of separate computational tasks performed on the job runner computer are preemptible computing instances. Receiving status indicators, by the interface, the status indicators sent from the job runner computer, for each of the plurality of separate computational tasks, the indicators are one of: incomplete, completed or failed computing instances. Resending to the job runner computer by the interface, the instructions to the job runner computer that correspond to the separate computational tasks having the failed computing instance indicator to thereby increase fault-tolerance against the separate computational tasks not attaining the completed computing instance indicator.