Scalable Simulation Framework for Chemical Networks
This repository implements a framework for scalable simulation of chemical networks via the Gillespie algorithm.
It offers a fast mechanism for generating a model-specific Cython function to simulate the system and uses that function to scan parameters and compute ensemble-based results, optionally scaling to multiple cores/machines via MPI.
It was used in Proteolytic Queues at ClpXP Increase Antibiotic Tolerance to simulate a simple network.