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How to make it easy for the user to select software, algorithms, and parameters to solve their problems
Simulation Requirements
ProtoMol/MDSimAid Server
Optimal
parameters
via XML
Our solution uses performance models and machine
learning to generate rules, run-time
optimization to fine tune suggestions. We want to use agents and machine learning to update
the rules.
This is documented in Ko (2002) and Crocker et al. (2004), J. Comp. Chem.
Goal:
Recommend optimal software and
architectural parameters to solve
particular problems
Make this
easily available as web portals