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Andrea Maranzana

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Open access Oct 2026

COMPLAX: A Python Tool Package for Automated Microsolvation of Organic Molecules

ComPLAX, an open-source Python tool that automates the generation and optimization of targeted microsolvated clusters around highly localized active sites, provides a reproducible, out-of-the-box solution for explicit microsolvation workflows.

Federica Lauria, Andrea Maranzana · 0 citations

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