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reandme and tutorial
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examples/fcc_ternary_system.ipynb

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"source": [
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"# ChemicalMotifIdentifier\n",
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"\n",
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"**To reviewers:** As we are keeping these codes private untill acceptance of the work, the PyPi installation of the package will not work. Please follow the instructions below to install all packages and dependencies.\n"
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"**To reviewers:** As we are keeping these codes private untill acceptance of the work, the PyPi installation of the package will not work. Please follow the instructions below to install all packages and dependencies.\n",
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"\n",
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"This is a quick tutorial on:\n",
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"1. Analytically obtaining a pattern inventory for a ternary system (CrCoNi) in the fcc crystal structure. \n",
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"1. Obtaining the pattern inventory with ML and creating a physically constrained embedding space from which we can compute dissimilarities between motifs. \n",
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"1. Computing dissimilarity between motifs in atomistic data."
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]
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},
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{
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"! pip install rich"
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]
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},
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{
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"cell_type": "markdown",
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"metadata": {},
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"source": [
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"This is a quick tutorial on:\n",
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"1. Analytically obtaining a pattern inventory for a ternary system (CrCoNi) in the fcc crystal structure. \n",
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"1. Obtaining the pattern inventory with ML and creating a physically constrained embedding space from which we can compute dissimilarities between motifs. \n",
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"1. Computing dissimilarity between motifs in atomistic data."
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]
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},
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{
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"cell_type": "code",
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"execution_count": 4,

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