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Shyam Dwaraknath
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Merge pull request #149 from ardunn/master
2021 Matminer/ML Update (WIP)
2 parents 8fb187f + b6039d6 commit 8671072

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requirements.txt

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pymongo==3.12.0
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robocrys==0.2.7
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crystal-toolkit==2021.4.29
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matminer==0.7.3
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ipywidgets==7.5.1
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mpcontribs-client==3.12.0
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graphviz==0.17

workshop/lessons/08_ml_matminer/matminer-notes.ipynb

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workshop/lessons/08_ml_matminer/unit-1-exercises-answers.ipynb

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],
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"metadata": {
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"kernelspec": {
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"display_name": "Python 3",
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"display_name": "Python 3 (ipykernel)",
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"language": "python",
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.6.7"
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"version": "3.7.3"
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}
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"nbformat": 4,

workshop/lessons/08_ml_matminer/unit-1-exercises.ipynb

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],
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"metadata": {
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"display_name": "Python 3 (ipykernel)",
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"language": "python",
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.6.7"
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"version": "3.7.3"
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"nbformat": 4,

workshop/lessons/08_ml_matminer/unit-2-exercises-answers.ipynb

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"metadata": {},
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"outputs": [],
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"source": [
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"from matminer.featurizers.composition import ElementFraction\n",
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"from matminer.featurizers.composition.element import ElementFraction\n",
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"ep = ElementFraction()\n",
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"metadata": {},
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"outputs": [],
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"source": [
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"from matminer.featurizers.structure import DensityFeatures\n",
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"from matminer.featurizers.structure.order import DensityFeatures\n",
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"de = DensityFeatures()\n",
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],
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"metadata": {
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"name": "python",
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"nbconvert_exporter": "python",
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"pygments_lexer": "ipython3",
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"version": "3.6.7"
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"version": "3.7.3"
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}
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"nbformat": 4,

workshop/lessons/08_ml_matminer/unit-2-exercises.ipynb

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"metadata": {},
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"outputs": [],
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"source": [
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"from matminer.featurizers.composition import ElementFraction\n",
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"from matminer.featurizers.composition.element import ElementFraction\n",
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"ep = ElementFraction()\n",
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"metadata": {},
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"outputs": [],
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"source": [
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"from matminer.featurizers.structure import DensityFeatures\n",
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"from matminer.featurizers.structure.order import DensityFeatures\n",
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"de = DensityFeatures()\n",
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],
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"metadata": {
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"name": "python",
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"version": "3.7.3"
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}
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},
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"nbformat": 4,

workshop/lessons/08_ml_matminer/unit-3-exercies-answers.ipynb

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"metadata": {
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workshop/lessons/08_ml_matminer/unit-3-exercies.ipynb

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}
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"nbformat": 4,

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