/tools/summit

summit

sustainable-processes/summit

139 stars30 forksJupyter NotebookWebsiteAdded February 4, 2026
summary

Summit is a set of tools designed for optimizing chemical processes, particularly reactions, using machine learning techniques. It includes various optimization strategies and benchmarks to enhance the efficiency of reaction optimization in the fine chemicals industry.

description

Optimising chemical reactions using machine learning

topics

chemistrymachine-learningoptimizationbayesian-optimizationneural-networksdrug-discoverytsemosnobfitnelder-meadself-optimization

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