/tools/MindlessGen

MindlessGen

grimme-lab/MindlessGen

39 stars5 forksPythonAdded February 8, 2026
summary

MindlessGen is a Python package designed for the semi-automated generation of small molecules using a rule-based algorithm. It allows users to specify element compositions and generates molecules by placing atoms randomly in coordinate space, making it useful for molecular design and exploration.

description

Mindless molecule generator in a Python package.

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