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  1. MSK-ADD19 MSK-ADD19 Public

    First steps in MSKCC Chodera Lab's Autonomous Molecular Design Project. Up-to-date project files can be found at https://github.com/choderalab/autonomous-molecular-design.

    Jupyter Notebook 1

  2. MStoGraphNN MStoGraphNN Public

    Python

  3. conda-package-publish-action conda-package-publish-action Public

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    Github Action to deploy conda package to Anaconda repository

    Shell 1