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2021 Matminer/ML Update (WIP) #149

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merged 9 commits into from
Jul 28, 2021
Merged

2021 Matminer/ML Update (WIP) #149

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99bf205
update requirements for newest matminer
ardunn Jul 20, 2021
2270f92
update matminer notes, various typos and code changes to comply with …
ardunn Jul 20, 2021
2ed62a4
update matminer notes, requirements
ardunn Jul 21, 2021
5e3f4b7
update exercises to avoid breaking changes in matminer, run pre-commi…
ardunn Jul 21, 2021
3cc0ba9
remove figrecipes from requirements, convert all code to plotly express
ardunn Jul 21, 2021
04404c9
update matminer lesson, remove automatminer, fix plotly
ardunn Jul 21, 2021
0d3bc68
Merge branch 'master' of https://github.com/materialsproject/workshop
ardunn Jul 28, 2021
a264a61
add matbench materials, resolve requirements conflict
ardunn Jul 28, 2021
b6039d6
Merge branch 'master' into ardunn-master
Jul 28, 2021
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1 change: 1 addition & 0 deletions requirements.txt
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Expand Up @@ -6,6 +6,7 @@ atomate==0.9.9
pymongo==3.12.0
robocrys==0.2.7
crystal-toolkit==2021.4.29
matminer==0.7.3
ipywidgets==7.5.1
mpcontribs-client==3.12.0
graphviz==0.17
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11,596 changes: 2,314 additions & 9,282 deletions workshop/lessons/08_ml_matminer/matminer-notes.ipynb
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4 changes: 2 additions & 2 deletions workshop/lessons/08_ml_matminer/unit-1-exercises-answers.ipynb
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Expand Up @@ -136,7 +136,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
Expand All @@ -150,7 +150,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.7"
"version": "3.7.3"
}
},
"nbformat": 4,
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4 changes: 2 additions & 2 deletions workshop/lessons/08_ml_matminer/unit-1-exercises.ipynb
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Expand Up @@ -114,7 +114,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
Expand All @@ -128,7 +128,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.7"
"version": "3.7.3"
}
},
"nbformat": 4,
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8 changes: 4 additions & 4 deletions workshop/lessons/08_ml_matminer/unit-2-exercises-answers.ipynb
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Expand Up @@ -64,7 +64,7 @@
"metadata": {},
"outputs": [],
"source": [
"from matminer.featurizers.composition import ElementFraction\n",
"from matminer.featurizers.composition.element import ElementFraction\n",
"\n",
"ep = ElementFraction()\n",
"\n",
Expand All @@ -89,7 +89,7 @@
"metadata": {},
"outputs": [],
"source": [
"from matminer.featurizers.structure import DensityFeatures\n",
"from matminer.featurizers.structure.order import DensityFeatures\n",
"\n",
"de = DensityFeatures()\n",
"\n",
Expand All @@ -109,7 +109,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
Expand All @@ -123,7 +123,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.7"
"version": "3.7.3"
}
},
"nbformat": 4,
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8 changes: 4 additions & 4 deletions workshop/lessons/08_ml_matminer/unit-2-exercises.ipynb
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Expand Up @@ -63,7 +63,7 @@
"metadata": {},
"outputs": [],
"source": [
"from matminer.featurizers.composition import ElementFraction\n",
"from matminer.featurizers.composition.element import ElementFraction\n",
"\n",
"ep = ElementFraction()\n",
"\n",
Expand All @@ -87,7 +87,7 @@
"metadata": {},
"outputs": [],
"source": [
"from matminer.featurizers.structure import DensityFeatures\n",
"from matminer.featurizers.structure.order import DensityFeatures\n",
"\n",
"de = DensityFeatures()\n",
"\n",
Expand All @@ -106,7 +106,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
Expand All @@ -120,7 +120,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.7"
"version": "3.7.3"
}
},
"nbformat": 4,
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4 changes: 2 additions & 2 deletions workshop/lessons/08_ml_matminer/unit-3-exercies-answers.ipynb
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Expand Up @@ -146,7 +146,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
Expand All @@ -160,7 +160,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.7"
"version": "3.7.3"
}
},
"nbformat": 4,
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4 changes: 2 additions & 2 deletions workshop/lessons/08_ml_matminer/unit-3-exercies.ipynb
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Expand Up @@ -146,7 +146,7 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3 (ipykernel)",
"language": "python",
"name": "python3"
},
Expand All @@ -160,7 +160,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.6.7"
"version": "3.7.3"
}
},
"nbformat": 4,
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