DrugSynthMC2 (dsmc2) is a python-based project building upon the preliminary DrugSynthMC Rust project (M Roucairol, 2024; https://github.com/RoucairolMilo/DrugSynthMC) which generates drug-like small molecules using Nested Monte Carlo Tree Search (T Cazenave,2009).

dsmc2 is an atom-based, multi-objective (druglikeness and target specificity) drug design and optimisation software.