Merge pull request #149 from ardunn/master

2021 Matminer/ML Update (WIP)
materialsproject · Jul 28, 2021 · 8671072 · 8671072
2 parents 8fb187f + b6039d6
commit 8671072
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diff --git a/requirements.txt b/requirements.txt
@@ -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

diff --git a/workshop/lessons/08_ml_matminer/matminer-notes.ipynb b/workshop/lessons/08_ml_matminer/matminer-notes.ipynb
diff --git a/workshop/lessons/08_ml_matminer/resources/amm_logo.png b/workshop/lessons/08_ml_matminer/resources/amm_logo.png
diff --git a/workshop/lessons/08_ml_matminer/resources/mb.png b/workshop/lessons/08_ml_matminer/resources/mb.png
diff --git a/workshop/lessons/08_ml_matminer/resources/mpcontribs.png b/workshop/lessons/08_ml_matminer/resources/mpcontribs.png
diff --git a/workshop/lessons/08_ml_matminer/resources/pipe.png b/workshop/lessons/08_ml_matminer/resources/pipe.png
diff --git a/workshop/lessons/08_ml_matminer/resources/website_mb.png b/workshop/lessons/08_ml_matminer/resources/website_mb.png
diff --git a/workshop/lessons/08_ml_matminer/unit-1-exercises-answers.ipynb b/workshop/lessons/08_ml_matminer/unit-1-exercises-answers.ipynb
@@ -136,7 +136,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -150,7 +150,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.6.7"
+   "version": "3.7.3"
   }
  },
  "nbformat": 4,

diff --git a/workshop/lessons/08_ml_matminer/unit-1-exercises.ipynb b/workshop/lessons/08_ml_matminer/unit-1-exercises.ipynb
@@ -114,7 +114,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -128,7 +128,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.6.7"
+   "version": "3.7.3"
   }
  },
  "nbformat": 4,

diff --git a/workshop/lessons/08_ml_matminer/unit-2-exercises-answers.ipynb b/workshop/lessons/08_ml_matminer/unit-2-exercises-answers.ipynb
@@ -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",
@@ -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",
@@ -109,7 +109,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -123,7 +123,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.6.7"
+   "version": "3.7.3"
   }
  },
  "nbformat": 4,

diff --git a/workshop/lessons/08_ml_matminer/unit-2-exercises.ipynb b/workshop/lessons/08_ml_matminer/unit-2-exercises.ipynb
@@ -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",
@@ -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",
@@ -106,7 +106,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -120,7 +120,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.6.7"
+   "version": "3.7.3"
   }
  },
  "nbformat": 4,

diff --git a/workshop/lessons/08_ml_matminer/unit-3-exercies-answers.ipynb b/workshop/lessons/08_ml_matminer/unit-3-exercies-answers.ipynb
@@ -146,7 +146,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -160,7 +160,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.6.7"
+   "version": "3.7.3"
   }
  },
  "nbformat": 4,

diff --git a/workshop/lessons/08_ml_matminer/unit-3-exercies.ipynb b/workshop/lessons/08_ml_matminer/unit-3-exercies.ipynb
@@ -146,7 +146,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
    "name": "python3"
   },
@@ -160,7 +160,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.6.7"
+   "version": "3.7.3"
   }
  },
  "nbformat": 4,