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PyKappa: Rule-based modeling in Python

B. A. Alpay, A. Lin, A. C. Damiani, W. Fontana

Preprint

In the authors' words

Rule-based languages have proven effective for modeling systems of interacting structured entities as typically encountered in chemistry and molecular biology. We present PyKappa, a rule-based modeling package written in Python whose interpreted nature enables interactive simulation and analysis, including by agentic AI. The package seeks to broaden the base of developers by utilizing a widely known programming language and serves as an easy-to-deploy teaching tool. Using PyKappa, we conduct a case study of phase separation.

Main resultThe abstract does not state a limitation.

Appeared: Friday, September 25. bioRxiv. Preprint, not yet peer-reviewed.

DOI: 10.64898/2026.09.18.752660