glsalierno/askcos-combustion-estimator: v2.0.0 — Iterative combustion pathways

Highlights

• Iterative mode (--iterative): recursive ASKCOS expansion; pathway CSV with pathway, probability, cumulative_delta_g_kj_per_mol
• CLI: askcos-iterative (pip install -e . or pip install -e ".[viz]" for pathway plots)
• Visualization: --visualize / visualize_pathways.py
• CI: GitHub Actions — ruff, vulture, pytest + coverage
• Extras: validation/ benchmarks, scripts/monitor_run.sh for periodic run/output logs

The git tag ASKCOS_API_implementation is updated to this line of development so the tree URL stays meaningful; the previous snapshot is still available at commit 59fc2f6.

See README Release v2.0.0 for usage flags and examples.