MLFlow Logging for EON¶

Configuration Logging¶

When running EON simulations in a production environment, tracking the exact parameters used is critical for reproducibility.

Added in version 0.1.0.

The `rgpycrumbs.eon._mlflow\` module provides helpers to log hydrated EON configurations to an MLFlow tracking server.

Features¶

**Hydration**: Merges the EON schema defaults with the user’s `config.ini`.
**Override Tracking**: Distinctly logs parameters that the user explicitly changed, separating them from default values.
**Artifact Storage**: Uploads the raw `config.ini` as an artifact.

Usage¶

import mlflow
from rgpycrumbs.eon._mlflow.log_params import log_config_ini
from pathlib import Path

mlflow.set_tracking_uri("http://localhost:5000")
mlflow.set_experiment("EON_Oxadiazole_Reaction")

with mlflow.start_run():
    # Log parameters from the local config file
    log_config_ini(
        Path("config.ini"),
        w_artifact=True,       # Upload file as artifact
        track_overrides=True   # Log 'Overrides/Section/Key' params
    )
    print("Configuration logged.")

API Reference¶

For developer details see rgpycrumbs.eon._mlflow.