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deeprefine

Installation

  1. Install pytorch

  2. Install other dependencies

    mamba install -c conda-forge pdbfixer
    mamba install -c conda-forge mdtraj
    pip install healpy
  3. Install deeprefine

    git clone https://github.com/minhuanli/deeprefine.git
    cd deeprefine
    pip install -e .

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A pytorch implementation of generative model assisted crystallography structure refinement

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