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  1. MolCrafts/molpy MolCrafts/molpy Public

    [WIP] A data structure used to describe molecules in computational chemistry, just like numpy in data science

    Python 39 9

  2. MolCrafts/molexp MolCrafts/molexp Public

    [WIP] Molecular experiment managerment

    Python 1 1

  3. MolCrafts/molpot MolCrafts/molpot Public

    [WIP] Machine Learning Molecular ForceField Training and Deploying Framework

    Python 5 1