Metrics and Diagnostics

KinOpt uses optimization loss values and post-fit diagnostics to evaluate kinase-phosphorylation fits.

Optimization Losses

The active loss configuration is controlled through the KinOpt configuration sections consumed by kinopt.local.

Typical loss codes include:

Check the active config.toml and KinOpt mode-specific constants for the exact settings used by a run.

Fit Analysis

kinopt.fitanalysis provides post-fit helpers for reviewing optimization results. Use it after local or evolutionary optimization has produced result files.

Optimality Diagnostics

kinopt.optimality contains utilities for KKT and feasibility checks. These diagnostics help identify constraint violations and summarize whether fitted parameters satisfy expected optimization conditions.

Curve Similarity Script

The repository also includes scripts/curve_similarity.py as a stand-alone helper for comparing observed and estimated curves from KinOpt output files. It is not part of the importable project-level package set documented in the API reference.