ai-rfm/GUIDELINES.md

GUIDELINES

Purpose

Make overfitting robust and measurable, targeting mean_rmsd_100 <= 1.0.

Workflow

1. Modify code/config.
2. Run training/evaluation and write reports/latest_eval.json.
3. If improved, update BEST_PRACTICE.json in the same commit.
4. Append one line to README.md attempt log.
5. Commit.

Required report format

reports/latest_eval.json must include:

• mean_rmsd_100 (float, lower is better)
• num_runs (int, must be 100)
• timestamp_utc
• command
• notes

Repro notes

• Keep seed explicit in commands.
• Keep sample path explicit.
• Prefer additive experiments (do not silently remove prior working options).

Safety

• If pre-commit blocks due to no improvement on train.py, either:
  • improve model and re-evaluate, or
  • commit non-train.py changes separately.