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
· Journal of Chemical Informat... · 0 citations