/tools/AutoMolDesigner

AutoMolDesigner

taoshen99/AutoMolDesigner

30 stars5 forksPythonAdded February 4, 2026
summary

AutoMolDesigner is an open-source Python application that facilitates automated design and screening of drug-like molecules using a combination of chemical language models and automated machine learning. It includes modules for deep molecular generation and molecular property prediction, enabling researchers to efficiently conceptualize and evaluate new molecular candidates.

description

The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.

topics

automated-machine-learninggraphical-user-interfacemolecular-property-predictionchemical-language-models

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