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Popular repositories

  1. pystore

    web app for storing, tagging, searching, viewing documents

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  2. pysom

    self-organizing map tool in Python

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  3. clulig

    Python script to cluster MOL files by similarity

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  4. bsse-estimator

    Estimates BSSE between two molecular fragments with emperical model.


  5. MC_Error_Sim

    Simulation of Monte Carlo error propagation on a 1D Lennard-Jones surface


  6. bsse-dataset

    Dataset of molecular fragments from proteins and calculated BSSE magnitudes

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