Path B - Module 49: Performance Optimization

MolSysMT ships its numerical kernels as a precompiled Rust extension. First-call overhead comes from lazy Python imports and data preparation, not kernel compilation.

In this module, you will learn to separate loading, preparation, and steady-state native execution when benchmarking an enzyme workflow.

import molsysmt as msm
import time

start = time.time()
version = msm.__version__
elapsed = time.time() - start
print(f"MolSysMT {version}; ordinary Python access took {elapsed:.6f} seconds.")
print("Native kernels are precompiled; no kernel warm-up is required.")

MolSysMT 0.20.0+163.g8606b24c9.dirty; ordinary Python access took 0.000082 seconds.
Native kernels are precompiled; no kernel warm-up is required.