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Popular repositories Loading

  1. alchemical-analysis alchemical-analysis Public

    Forked from MobleyLab/alchemical-analysis

    Python 3

  2. ParmEd ParmEd Public

    Forked from swails/ParmEd

    Parameter/topology editor and molecular simulator

    Python 1

  3. open-forcefield-data open-forcefield-data Public

    Forked from openforcefield/open-forcefield-data

    Datasets for open forcefield parameterization and development

    Jupyter Notebook 1

  4. gbff gbff Public

    Forked from choderalab/gbff

    Tools for Bayesian forcefield development

    Python 1

  5. mdtraj mdtraj Public

    Forked from mdtraj/mdtraj

    A modern, open library for the analysis of molecular dynamics trajectories

    Python 1

  6. benchmarkset benchmarkset Public

    Benchmark sets for alchemical free energy calculations