ATOM

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AMPL
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The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.
python machine-learning neural-network
python machine-learning neural-network chemistry cheminformatics chemistry-discovery math-physics nci-doe-collaboration-capability
Jupyter Notebook
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MIT License
•71•145•24•5•Updated May 1, 2026May 1, 2026

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