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Pull request overview
This pull request prepares the pharmsol repository for submission to the Journal of Open Source Software (JOSS). The submission includes the addition of a JOSS paper describing the library, new benchmarks demonstrating performance gains, comprehensive testing for stochastic differential equation (SDE) features, and various code quality improvements.
Key Changes:
- Added JOSS paper (
paper.md) and bibliography (paper.bib) documenting the library's purpose, features, and performance characteristics - Added comprehensive benchmarks comparing analytical vs ODE implementations across multiple compartmental models
- Added particle filter (SDE) test to validate stochastic differential equation likelihood estimation
- Minor code quality improvements (idiomatic Rust patterns in likelihood module)
- Updated README with improved installation instructions and examples
- Cleaned up repository by removing example files and test data
Reviewed changes
Copilot reviewed 11 out of 12 changed files in this pull request and generated 5 comments.
Show a summary per file
| File | Description |
|---|---|
| paper.md | JOSS submission paper documenting pharmsol's features, architecture, and use cases |
| paper.bib | Bibliography with citations for referenced pharmacometric software and libraries |
| tests/test_pf.rs | New test validating particle filter likelihood estimation with stochastic variability |
| benches/analytical_vs_ode.rs | Comprehensive benchmark comparing analytical vs ODE solutions for 1 and 2-compartment models |
| src/simulator/likelihood/mod.rs | Minor refactoring to use more idiomatic Rust patterns |
| README.md | Updated with clearer installation instructions and simplified examples |
| .github/workflows/render.yml | New CI workflow for rendering JOSS paper PDF |
| Cargo.toml | Added benchmark configuration for analytical_vs_ode |
| .gitignore | Added paper build artifacts to ignore list |
| examples/sde.rs | Removed (cleanup for JOSS submission) |
| examples/pf.rs | Removed (cleanup for JOSS submission) |
| test.csv | Removed (cleanup for JOSS submission) |
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To include Walter and Michael
Moved paper and references to a separate folder.
* Clarify summary and future work for 'pharmsol' library Updated the summary and conclusion sections to clarify the purpose of the 'pharmsol' library and its future development plans. * Clarify future development focus in conclusion Updated the conclusion section to specify 'non-compartmental analyses' instead of 'NCA analyses'. * Fix wording in conclusion section Corrected 'non-compartmental analyses' to 'non-compartmental analysis' for consistency.
Siel
approved these changes
Jan 3, 2026
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