#27 · Tools & infrastructure
Software tools for reproducible, interactive, and scalable computational biology
The dominant thread is software infrastructure that makes computational biology models, analyses, and testing more accessible, reproducible, or scalable, rather than reporting new biological results. DeskIridium and WebIridium provide desktop and browser simulators for SBML and Antimony models, with real-time parameter exploration aimed at experimental biologists. hpci links CI platforms (GitHub Actions, GitLab CI) to HPC schedulers (Slurm, PBS) to automate testing of research code. COCOA.jl is a multithreaded Julia package for identifying concordant and kinetic modules in genome-scale biochemical networks, and PhyloZoo is a Python framework covering data structures, algorithms, visualization, and I/O for phylogenetic networks. Across these items, standard model formats, interactive or automated execution, and high-performance implementations each address a different step of the research workflow, which is the new element relative to prior tooling in this set.
Published papers
hpci improves reproducibility of computational biology research by integrating Continuous Integration with High Performance Computing clusters.
hpci is an open-source, platform-agnostic utility linking CI platforms (GitHub Actions, GitLab CI) to HPC schedulers (Slurm, PBS) to automate testing of…
COCOA.jl-a Julia package for high-performance analysis of concordance and kinetic modules in biochemical networks.
COCOA.jl is a multithreaded Julia package for identifying concordant and kinetic modules in biochemical networks, aimed at genome-scale concentration…
PhyloZoo: a unified framework for phylogenetic network analysis in Python.
PhyloZoo is an open-source Python framework offering data structures, algorithms, visualization, and I/O for phylogenetic networks, with emphasis on…
Preprints
An interactive simulator for integrating biochemical models with experimental data
DeskIridium desktop and WebIridium browser simulators make SBML/Antimony biochemical models accessible to experimental biologists, with real-time parameter…
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