MFA Pipeline Orchestrator
Overview
Coordinates all mfa-agent sub-agents in sequence, tracking progress via progress/ markdown files so any failed step can be resumed independently.
Full pipeline:
Model source (BIGG ID / custom reactions)
→ [model-builder] models/<Model>.json + validation report
→ [fba-runner] simulations/fba_fluxes.csv + scan_summary.json
→ [flux-analyzer] analysis/essentiality.csv + phase_plane.png
→ [metabolic-pheno-analyzer] output/figures/*.pdf + yield table
Workflow
Step 0: Parse User Request
Extract and record in progress/step0_inputs.md:
- Model source (BIGG ID or custom)
- Organism and condition (aerobic/anaerobic, carbon source, concentration)
- Objective reaction (biomass or product)
- Gene knockouts to apply
- Analysis goals (essentiality, phase plane, yield optimisation, WT vs. mutant comparison)
- Target product (if yield analysis requested)
Step 1: Invoke model-builder
Provide: model source, medium constraints, objective, knockouts.
Wait for progress/step1_metabolic_model.md.
Read: model file path, WT growth rate, model statistics.
Step 2: Invoke fba-runner
Provide: model path, simulation types requested (FBA, pFBA, FVA, knockout screen), carbon source sweep if requested.
Wait for progress/step2_fba_simulation.md.
Read: flux CSV paths, essential gene count, secretion fluxes.
Step 3: Invoke flux-analyzer
Provide: model path, FBA results, analysis goals (essentiality, phase plane, sampling), nutrient pair for phase plane.
Wait for progress/step3_flux_analysis.md.
Read: essential genes, phase plane optimum, engineering targets.
Step 4: Invoke metabolic-pheno-analyzer
Provide: model path, all previous results, target product, publication requirements.
Wait for progress/step4_metabolic_phenotype.md.
Read: max theoretical yield, figure paths.
Progress File Specification
progress/step1_metabolic_model.md
# Step 1: Metabolic Model
## Status: PASS / FAIL
## Model: <BIGG_ID>.json
## Reactions: N Metabolites: M Genes: G
## WT growth rate: X h⁻¹
## Validation: mass balance errors=0, dead-ends=N
progress/step2_fba_simulation.md
# Step 2: FBA Simulation
## Status: PASS / FAIL
## Runs: FBA, pFBA, FVA, knockout screen
## WT growth rate: X h⁻¹ (pFBA: Y h⁻¹)
## Essential genes: N
## Key secretion products: [ethanol: X mmol/gDW/h, ...]
## Files: simulations/fba_fluxes.csv, simulations/gene_essentiality.csv
progress/step3_flux_analysis.md
# Step 3: Flux Analysis
## Status: PASS / FAIL
## Essential gene count: N
## Phase plane optimum: glucose=X, O2=Y → growth=Z h⁻¹
## Top engineering targets: [gene1, gene2, gene3]
## Files: analysis/phase_plane.png, analysis/essentiality.csv
Key Conventions
- Never re-run completed steps — check progress file status before invoking sub-agents
- Maximum total sub-agent retries: 10 across all steps
- All file paths relative to working directory
- The orchestrator does not run FBA itself — all computation delegated to sub-agents