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Clementi Group

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  1. LSDMap-DM-d-MD LSDMap-DM-d-MD Public

    Locally-Scaled Diffusion Maps, DM-d-MD

    Python 12 1

  2. mlcg mlcg Public

    Machine Learning tools for Coarse Graining

    Python 10 4

  3. cg-mapping cg-mapping Public

    Implementation of methods to compute the optimal mapping strategies

    Python 6

  4. mlcg-tk mlcg-tk Public

    Tools to prepare data for use in training a transferable coarse grained (CG) forcefield using the MLCG package

    Python 5 4

  5. pyODEM pyODEM Public

    Python implementation for the Observable-driven Design of Effective molecular Models (ODEM).

    Python 4 2

  6. proteka proteka Public

    Python 3

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