Create large-scale ML-driven multiscale simulation ensembles to study the interactions
MuMMI RAS v0.1
Released: Nov 16, 2021
MuMMI RAS is the application component of the MuMMI framework
developed to create large-scale ML-driven multiscale simulation ensembles to
study the interactions of RAS proteins and RAS-RAF protein complexes with lipid
plasma membranes.
MuMMI framework was developed as part of the Pilot2 project of the
Joint Design of Advanced Computing Solutions for Cancer
funded jointly by the Department of Energy (DOE) and the
National Cancer Institute (NCI).
The Pilot 2 project focuses on developing multiscale simulation models for
understanding the interactions of the lipid plasma membrane with the
RAS and RAF proteins. The broad computational tool development
aims of this pilot are:
- Developing scalable multi-scale molecular dynamics code that will automatically switch