Process Optimization

Cantera Skill (K-Dense) provides instructions and a Python helper for homogeneous ignition calculations, with mechanism provenance, conservation diagnostics, and numerical refinement checks.

Computational Chemistry · Process Optimization

GEKKO is a Python modeling and optimization toolkit for differential algebraic systems, supporting process simulation, parameter estimation, mixed-integer optimization, and nonlinear predictive control.

Process Optimization · Process Control

IDAES is a Python process systems engineering toolkit for simulation-based design, analysis and optimization of advanced energy systems, with solver extensions and separately distributed examples.

Process Optimization · Chemical Manufacturing

Phoenics combines Bayesian optimization with Bayesian kernel density estimation to recommend experimental or computational parameters, supporting sequential, batch and multi-objective workflows.

Lab Automation · Process Optimization

Gryffin is a Python Bayesian optimization framework for categorical and mixed experimental design spaces, with batch recommendations and physicochemical descriptor support.

Lab Automation · Process Optimization

Olympus is a Python framework for benchmarking noisy optimization and experiment planning, with mixed parameter domains, experimental benchmarks, analytical test functions and a shared planner interface.

Lab Automation · Process Optimization

BoFire is a Python framework for experimental design and Bayesian optimization, supporting mixed variables, constraints, molecular representations and iterative candidate selection.

Lab Automation · Process Optimization

Summit is a Python toolkit for chemical reaction optimisation, combining optimisation strategies, simulated reaction benchmarks and closed-loop workflows for evaluating experimental conditions.

Lab Automation · Process Optimization

BayBE is a Python toolbox for Bayesian experimental design that recommends parameter configurations from defined search spaces, objectives and measurements, including chemistry-aware and multi-target workflows.

Lab Automation · Process Optimization