Run provenance  ·  vivarium-collective/v2ecoli ↗  ·  2026-04-13 10:38:47 EDT  ·  nutrient-growth@fb41303 [uncommitted changes]  ·  eranagmon@LT-0919936  ·  Darwin 24.2.0 arm64 (16 cores)  ·  Python 3.12.9

v2ecoli Workflow Report

2026-04-13 10:38 · Pipeline steps with intermediate caching · process-bigraph Composite.run()

v2ecoli is a whole-cell E. coli model running natively on process-bigraph. It migrates all 55 biological steps from vEcoli to run through the standard Composite.run() pipeline with custom bigraph-schema types for bulk molecules, unique molecules, and listener stores.

This report runs a 7-step pipeline, caching intermediate results for fast re-runs.

0. EcoCyc API

0/0 files fetched from BioCyc web services (https://websvc.biocyc.org/wc-get?type=...). Update: python -m v2ecoli.reconstruction.ecoli.scripts.update_biocyc_files

FileLinesSizeStatus

1. Raw Data cached 2026-04-13 09:38:10

TSV Files
133
Total Size
13.5 MB
Genes
4,747
RNAs
4,747
Proteins
4,434
Metabolites
7,597
Genome
4,641,652 bp
File Catalog by Subdirectory
DirectoryFilesSize (KB)
adjustments77
base_codes41
cell_wall12
condition58
condition/media73
mass_fractions62
new_gene_data11
new_gene_data/gfp72
new_gene_data/template71
rna_seq_data51289
root7011867
rrna_options/remove_rrff41
rrna_options/remove_rrna_operons215
trna_data711
All Raw Data Files (133 files — click to browse, links to GitHub)
FileSizeSource
amino_acid_export_kms.tsv1 KBCurated
amino_acid_export_kms_removed.tsv109 BModifier
amino_acid_pathways.tsv6 KBCurated
amino_acid_uptake_rates.tsv943 BCurated
amino_acid_uptake_rates_removed.tsv112 BModifier
biomass.tsv5 KBCurated
compartments.tsv239 BCurated
complexation_reactions.tsv132 KBEcoCyc API
complexation_reactions_added.tsv340 BModifier
complexation_reactions_modified.tsv714 BModifier
complexation_reactions_removed.tsv3 KBModifier
disabled_kinetic_reactions.tsv2 KBCurated
dna_sites.tsv285 KBEcoCyc API
dna_supercoiling.tsv97 BCurated
dry_mass_composition.tsv818 BCurated
endoRNases.tsv206 BCurated
equilibrium_reaction_rates.tsv5 KBCurated
equilibrium_reactions.tsv25 KBEcoCyc API
equilibrium_reactions_added.tsv1 KBModifier
equilibrium_reactions_removed.tsv7 KBModifier
fold_changes.tsv22 KBCurated
fold_changes_nca.tsv75 KBCurated
fold_changes_removed.tsv4 KBModifier
footprint_sizes.tsv137 BCurated
gene_fragments.tsv3 KBCurated
genes.tsv400 KBEcoCyc API
growth_rate_dependent_parameters.tsv616 BCurated
linked_metabolites.tsv444 BCurated
mass_parameters.tsv647 BCurated
metabolic_reactions.tsv1224 KBEcoCyc API
metabolic_reactions_added.tsv3 KBModifier
metabolic_reactions_modified.tsv3 KBModifier
metabolic_reactions_removed.tsv390 BModifier
metabolism_kinetics.tsv144 KBCurated
metabolite_concentrations.tsv6 KBCurated
metabolite_concentrations_removed.tsv308 BModifier
metabolites.tsv1496 KBEcoCyc API
metabolites_added.tsv571 BModifier
modified_proteins.tsv3 KBCurated
molecular_weight_keys.tsv127 BCurated
parameters.tsv3 KBCurated
ppgpp_fc.tsv365 KBCurated
ppgpp_regulation.tsv10 KBCurated
ppgpp_regulation_added.tsv2 KBModifier
ppgpp_regulation_removed.tsv107 BModifier
protein_half_lives_measured.tsv426 BCurated
protein_half_lives_n_end_rule.tsv603 BCurated
protein_half_lives_pulsed_silac.tsv26 KBCurated
proteins.tsv1897 KBEcoCyc API
relative_metabolite_concentrations.tsv5 KBCurated
rna_half_lives.tsv45 KBCurated
rna_maturation_enzymes.tsv2 KBCurated
rnas.tsv472 KBEcoCyc API
secretions.tsv1 KBCurated
sequence.fasta4598 KBCurated
sequence_motifs.tsv189 BCurated
tf_one_component_bound.tsv359 BCurated
transcription_factors.tsv97 KBCurated
transcription_units.tsv328 KBEcoCyc API
transcription_units_added.tsv8 KBModifier
transcription_units_modified.tsv638 BModifier
transcription_units_removed.tsv4 KBModifier
transcriptional_attenuation.tsv1 KBCurated
transcriptional_attenuation_removed.tsv1 KBModifier
translation_efficiency.tsv83 KBCurated
trna_charging_reactions.tsv36 KBEcoCyc API
trna_charging_reactions_added.tsv374 BModifier
trna_charging_reactions_removed.tsv16 KBModifier
two_component_system_templates.tsv4 KBCurated
two_component_systems.tsv1 KBCurated
base_codes/amino_acids.tsv319 BCurated
base_codes/dntp.tsv67 BCurated
base_codes/nmp.tsv64 BCurated
base_codes/ntp.tsv64 BCurated
new_gene_data/new_gene_baseline_expression_parameters.tsv888 BCurated
new_gene_data/template/gene_sequences.tsv36 BCurated
new_gene_data/template/genes.tsv78 BEcoCyc API
new_gene_data/template/insertion_location.tsv43 BCurated
new_gene_data/template/protein_half_lives_measured.tsv41 BCurated
new_gene_data/template/proteins.tsv190 BEcoCyc API
new_gene_data/template/rna_half_lives.tsv29 BCurated
new_gene_data/template/rnas.tsv108 BEcoCyc API
new_gene_data/gfp/gene_sequences.tsv778 BCurated
new_gene_data/gfp/genes.tsv124 BEcoCyc API
new_gene_data/gfp/insertion_location.tsv60 BCurated
new_gene_data/gfp/protein_half_lives_measured.tsv41 BCurated
new_gene_data/gfp/proteins.tsv504 BEcoCyc API
new_gene_data/gfp/rna_half_lives.tsv29 BCurated
new_gene_data/gfp/rnas.tsv179 BEcoCyc API
adjustments/amino_acid_pathways.tsv46 BCurated
adjustments/balanced_translation_efficiencies.tsv933 BCurated
adjustments/protein_deg_rates_adjustments.tsv273 BCurated
adjustments/relative_metabolite_concentrations_changes.tsv384 BCurated
adjustments/rna_deg_rates_adjustments.tsv445 BCurated
adjustments/rna_expression_adjustments.tsv1 KBCurated
adjustments/translation_efficiencies_adjustments.tsv3 KBCurated
rna_seq_data/doubling_times.tsv203 BCurated
rna_seq_data/rnaseq_rsem_tpm_mean.tsv288 KBCurated
rna_seq_data/rnaseq_rsem_tpm_std.tsv346 KBCurated
rna_seq_data/rnaseq_seal_rpkm_mean.tsv304 KBCurated
rna_seq_data/rnaseq_seal_rpkm_std.tsv351 KBCurated
mass_fractions/LPS_fractions.tsv48 BCurated
mass_fractions/glycogen_fractions.tsv56 BCurated
mass_fractions/ion_fractions.tsv308 BCurated
mass_fractions/lipid_fractions.tsv131 BCurated
mass_fractions/murein_fractions.tsv49 BCurated
mass_fractions/soluble_fractions.tsv969 BCurated
condition/condition_defs.tsv885 BCurated
condition/environment_molecules.tsv2 KBCurated
condition/media_recipes.tsv2 KBCurated
condition/tf_condition.tsv2 KBCurated
condition/timelines_def.tsv2 KBCurated
condition/media/5X_supplement_EZ.tsv385 BCurated
condition/media/MIX0-47.tsv444 BCurated
condition/media/MIX0-51.tsv480 BCurated
condition/media/MIX0-55.tsv463 BCurated
condition/media/MIX0-57.tsv491 BCurated
condition/media/MIX0-58.tsv492 BCurated
condition/media/MIX0-844.tsv490 BCurated
trna_data/trna_data.tsv3 KBCurated
trna_data/trna_growth_rates.tsv46 BCurated
trna_data/trna_ratio_to_16SrRNA_0p4.tsv2 KBCurated
trna_data/trna_ratio_to_16SrRNA_0p7.tsv1 KBCurated
trna_data/trna_ratio_to_16SrRNA_1p07.tsv2 KBCurated
trna_data/trna_ratio_to_16SrRNA_1p6.tsv2 KBCurated
trna_data/trna_ratio_to_16SrRNA_2p5.tsv1 KBCurated
cell_wall/murein_strand_length_distribution.csv2 KBCurated
rrna_options/remove_rrff/genes_removed.tsv179 BModifier
rrna_options/remove_rrff/mass_parameters_modified.tsv226 BModifier
rrna_options/remove_rrff/rnas_removed.tsv206 BModifier
rrna_options/remove_rrff/transcription_units_modified.tsv675 BModifier
rrna_options/remove_rrna_operons/transcription_units_added.tsv10 KBModifier
rrna_options/remove_rrna_operons/transcription_units_removed.tsv4 KBModifier

2. ParCa (Parameter Calculator) cached 2026-04-13 09:38:10

simData source: reused from vEcoli (out/kb/simData.cPickle) — ParCa was not re-run in this workflow.
simData Source
vEcoli pickle
ParCa Time
pre-cached
Cache Gen
pre-cached
Cache Dir
out/cache
Process Configs
30
Bulk Molecules
16,321
Unique Types
11
Process Configs (30)
Unique Molecule Types (11)

3. Load Model cached 2026-04-13 10:32:30

Build Time
1.90s
Steps
50
Processes
1
Bulk Molecules
16,321
Unique Types
11
Initial Dry Mass
380.9 fg

4. Single Cell Simulation + v1 Comparison (42 min) cached 2026-04-13 10:35:41

Sim Duration
2550s
Wall Time
189.2s
Sim/Wall
13.5x
Bulk Changed
4160
Dry Mass
698.0 fg
Division
Reached
Chromosome State
Growth Metrics
ppGpp Dynamics

Single Cell Summary

Metric Value
Sim duration 2550s
Wall time 189s
Speed (sim/wall) 13.5x
Final dry mass 698.0 fg
Division reached Yes
Snapshots 52

5. Division cached 2026-04-13 10:35:43

How Division Works

The Division step uses process-bigraph's native _add/_remove structural updates. When division is triggered (dry mass ≥ threshold with ≥ 2 chromosomes):

  1. State splittingdivide_cell() partitions the mother cell's state:
    • Bulk molecules: binomial distribution (p=0.5) on each molecule's count
    • Chromosomes: alternating assignment (even→D1, odd→D2) with descendant domain tracking
    • Chromosome-attached molecules: follow their domain
    • RNAs: full transcripts binomial, partial transcripts follow RNAP domain
    • Ribosomes: follow their mRNA
  2. Daughter cell constructionbuild_document_from_configs() builds complete cell states with fresh process instances from the divided initial state + cached configs

Division Test Results

Tests run on pre-division state (t=2500s, 2 chromosomes, dry mass 703 fg).

Bulk Conserved
Yes
Mother Bulk
55,364,259,641
D1 Bulk
27,682,252,353
D2 Bulk
27,682,007,288
State Split
20 ms
Daughter Build
0.2s
Daughter Viable
Yes
Unique Molecule Conservation
MoleculeMother (active)Daughter 1Daughter 2Conserved
full_chromosome2 11 Yes
oriC4 22 Yes
chromosome_domain7 33 No
active_replisome4 22 Yes
promoter8752 43764376 Yes
gene12134 60676067 Yes
DnaA_box840 420420 Yes
active_RNAP1194 597597 Yes
RNA5078 25422536 Yes
chromosomal_segment0 00 Yes
active_ribosome25061 1247212589 Yes

6. Daughter Simulations cached 2026-04-13 10:38:43

Two daughter cells from the pre-division state, each run for 1275s (approximately half a generation).

Daughter 1

Wall Time
88s
Initial Dry Mass
351 fg
Final Dry Mass
469 fg
Fold Change
1.33x

Daughter 2

Wall Time
90s
Initial Dry Mass
352 fg
Final Dry Mass
480 fg
Fold Change
1.36x
Daughters Mass

7. Process-Bigraph Network

Interactive Cytoscape.js viewer of the composite — stores on the left, processes on the right, sorted by execution layer. Click a node for math, ports, config; switch layouts from the dropdown. Full-screen viewer: network.html.

Timing Summary

StepWall TimeSim TimeSpeed
Model build1.90s
Single cell (to division)189.2s2550s13.5x realtime
Division split0.020s
Daughter simulations178.6s2550s (2x1275s)14.3x realtime
Total370s5100s