Chi is an open source Python package which is designed for PKPD modelling and model-informed precision dosing (MIPD).
Description of work done at Merck pharmaceutical company in the summer of 2018 as a Computational Drug Discovery Intern at West Point, PA. Information excludes all proprietary information belonging to Merck & Co.
Simulation of pharmacodynamic models of drug-GPCR (class A) interactions.
A Python library for automated PK/PD ODE model identification from concentration–time data. Selects the compartmental structure, estimates parameters, and flags identifiability problems; no model specification or starting values required.
Open Python Web App for Pharmcological Modeling and Analysis
An MCP server providing AI assistants with access to MATLAB SimBiology for modelling, simulating, and analyzing biological systems
Simulate the absorption and elimination of drugs in real time using pharmacokinetic formulas.
A bunch of PK/PD patient models with various diseases for open-/closed-loop control systems
A Python-based clinical decision-support tool that cross-references a patient's medication list against a database to automatically flag severe drug-drug interactions (DDIs).
Pharmaceutical Programming Framework
Antibiotic tolerance is scored from the starting inoculum wherever killing reaches the assay floor: a reanalysis of five published time-kill deposits, with every number regenerated from the data by the code here
Modular Python framework for Population PK/PD modeling
Multi-agent in-silico clinical trial simulation on Databricks & AWS: synthetic patient personas (PK/PD + ML + LLM), Spark/Delta/MLflow pipeline, biostatistical readout, DSMB rules.
Auto-reproduction & certification engine for the computational biomedical modeling literature — rebuild the model, re-run it, certify whether it reproduces its own results.
Phoenix WinNonlin-compatible PK/PD/NCA/Compartmental analysis copilot for Claude Code — version-aware (WinNonlin 5.3/6.4/8.3), CDISC SDTM/ADaM, 21 CFR Part 11 technical controls
A curated, citation-backed dataset of anesthetic and perioperative PK/PD model parameters featuring machine-enforced applicability envelopes, forward simulation, model-divergence visualization, and automated exports to standard pharmacometric formats like NONMEM, SBML, and Pumas.
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