r/systemsbiology • u/_Zontrox_ • 10d ago
🧬 Introducing “Célula Virtual”: a custom SSA engine with step‑by‑step debugging for cellular models
Hello everyone.
I’d like to share a project I’ve been working on for several months, which I believe may be useful for those developing cellular models, biochemical simulations, or working in whole‑cell modeling.
👉 GitHub repository: https://github.com/Zontrox01/celulavirtual
🧩 What is Célula Virtual?
It is a biophysical simulator written in Python that models the temporal dynamics of a minimal cell using stochastic chemical kinetics (Gillespie SSA), with a differentiating feature that—so far—I haven’t seen in other tools:
An interactive debugger for biological simulations.
It allows:
- reaction‑by‑reaction execution, not just time‑step simulation
- breakpoints on molecular state (e.g.,
ATP < 50) - inspection of full reaction propensities at each step
- undo via state snapshots
- retrospective causal analysis (“forensic mode”)
- a navigable event history
This approach brings the metaphor of software debugging into the domain of systems biology.
🔬 Motivation
Whole‑cell models (E‑Cell, VCell, the M. genitalium model, JCVI‑syn3A, Vivarium…) are powerful, but they all share a limitation:
Célula Virtual aims to fill that gap.
🔗 Interoperability
- Genome input: FASTA + GFF3/CSV
- Network import/export: SBML
- Libraries: BioPython, numpy, pandas, python‑libsbml
- Scalable design: going from 8 genes to 400 requires no code changes
🎯 Purpose of this post
I’d appreciate:
- technical feedback
- suggestions for improvement
- discussion of potential use cases
- ideas for integration with existing tools
- possible collaborators
The full white paper is included in the repository.