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Popular repositories

  1. MultiFidelity_Bayes MultiFidelity_Bayes Public

    Manuscript for first EAGER grant paper on Bayesian inference driven force field parameterization using a multi-fidelity likelihood calculation algorithm

    Jupyter Notebook 3 1

  2. bayes_parameter_estimation_for_blog bayes_parameter_estimation_for_blog Public

    Storage repo for jupyter notebook and data file for Bayesian parameter estimation blog post at brycesrandomwalk.com

    Jupyter Notebook 1

  3. thermopyl thermopyl Public

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    Tools for ThermoML parsing

    Python

  4. open-forcefield-group open-forcefield-group Public

    Forked from openforcefield/open-forcefield-group

    For discussing and aggregating data for force field development

    Python 1

  5. open-forcefield-tools open-forcefield-tools Public

    Forked from openforcefield/open-forcefield-tools

    Tools for open forcefield development

    Python

  6. open-forcefield-data open-forcefield-data Public

    Forked from openforcefield/open-forcefield-data

    Datasets for open forcefield parameterization and development

    Python