PyKappa: Rule-based modeling in Python
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Summary
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.
Availability
The official PyKappa website is https://pykappa.org , where code fo the phase separation analysis can also be found. The PyKappa source code is hosted at https://github.com/berkalpay/pykappa .
Contact
berk_alpay@g.harvard.edu
