From d9af74f79899aedc8aed947451b38bf8dd70236d Mon Sep 17 00:00:00 2001
From: Justas Dauparas <justas.dauparas@gmail.com>
Date: Thu, 18 Aug 2022 20:35:59 -0700
Subject: [PATCH] update to work with changes

---
 colab_notebooks/quickdemo.ipynb | 63 ++++++++++++++++++---------------
 1 file changed, 35 insertions(+), 28 deletions(-)

diff --git a/colab_notebooks/quickdemo.ipynb b/colab_notebooks/quickdemo.ipynb
index 31e23967..873f3a9b 100644
--- a/colab_notebooks/quickdemo.ipynb
+++ b/colab_notebooks/quickdemo.ipynb
@@ -7,7 +7,7 @@
         "colab_type": "text"
       },
       "source": [
-        "<a href=\"https://colab.research.google.com/github/dauparas/ProteinMPNN/blob/colab_updates/colab_notebooks/quickdemo.ipynb\" target=\"_parent\"><img src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/></a>"
+        "<a href=\"https://colab.research.google.com/github/dauparas/ProteinMPNN/blob/main/colab_notebooks/quickdemo.ipynb\" target=\"_parent\"><img src=\"https://colab.research.google.com/assets/colab-badge.svg\" alt=\"Open In Colab\"/></a>"
       ]
     },
     {
@@ -22,9 +22,8 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 24,
+      "execution_count": 9,
       "metadata": {
-        "cellView": "form",
         "id": "iYDU3ftml2k5"
       },
       "outputs": [],
@@ -34,7 +33,7 @@
         "\n",
         "if not os.path.isdir(\"ProteinMPNN\"):\n",
         "  os.system(\"git clone -q https://github.com/dauparas/ProteinMPNN.git\")\n",
-        "sys.path.append('/content/ProteinMPNN/vanilla_proteinmpnn')"
+        "sys.path.append('/content/ProteinMPNN')"
       ]
     },
     {
@@ -64,7 +63,7 @@
         "\n",
         "backbone_noise=0.00               # Standard deviation of Gaussian noise to add to backbone atoms\n",
         "\n",
-        "path_to_model_weights='/content/ProteinMPNN/vanilla_proteinmpnn/vanilla_model_weights'          \n",
+        "path_to_model_weights='/content/ProteinMPNN/vanilla_model_weights'          \n",
         "hidden_dim = 128\n",
         "num_layers = 3 \n",
         "model_folder_path = path_to_model_weights\n",
@@ -86,11 +85,10 @@
         "colab": {
           "base_uri": "https://localhost:8080/"
         },
-        "cellView": "form",
         "id": "2nKSlaMlSpcf",
-        "outputId": "bdbbb9ef-bf1b-43db-ffe1-0bb1d3dba202"
+        "outputId": "293c6f08-8256-4e08-d8ab-3c2a02ab74b8"
       },
-      "execution_count": 48,
+      "execution_count": 10,
       "outputs": [
         {
           "output_type": "stream",
@@ -122,10 +120,9 @@
         "    return my_dict"
       ],
       "metadata": {
-        "cellView": "form",
         "id": "yjnUkQuZX-de"
       },
-      "execution_count": 49,
+      "execution_count": 11,
       "outputs": []
     },
     {
@@ -143,14 +140,13 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 50,
+      "execution_count": 12,
       "metadata": {
-        "cellView": "form",
         "id": "k4o6w2Y23wxO",
         "colab": {
           "base_uri": "https://localhost:8080/"
         },
-        "outputId": "2932cc35-e6d4-4663-bdea-e6a0b9890b24"
+        "outputId": "58d89f72-5d3c-44a7-c2cb-e26c3c54d43f"
       },
       "outputs": [
         {
@@ -158,9 +154,9 @@
           "name": "stdout",
           "text": [
             "{'1O91': (['A', 'B', 'C'], [])}\n",
-            "Length of chain A is 131\n",
             "Length of chain C is 131\n",
-            "Length of chain B is 131\n"
+            "Length of chain B is 131\n",
+            "Length of chain A is 131\n"
           ]
         }
       ],
@@ -278,14 +274,14 @@
     },
     {
       "cell_type": "code",
-      "execution_count": 51,
+      "execution_count": 13,
       "metadata": {
         "cellView": "form",
         "id": "xMVlYh8Fv2of",
         "colab": {
           "base_uri": "https://localhost:8080/"
         },
-        "outputId": "e8259379-d4e0-4ef6-b096-d39261249807"
+        "outputId": "7b3d1839-d872-4f48-f907-775eaf035754"
       },
       "outputs": [
         {
@@ -293,10 +289,10 @@
           "name": "stdout",
           "text": [
             "Generating sequences...\n",
-            ">1O91, score=1.3063, fixed_chains=[], designed_chains=['A', 'B', 'C'], model_name=v_48_020\n",
+            ">1O91, score=1.3217, fixed_chains=[], designed_chains=['A', 'B', 'C'], model_name=v_48_020\n",
             "EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM/EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM/EMPAFTAELTVPFPPVGAPVKFDKLLYNGRQNYNPQTGIFTCEVPGVYYFAYHVHCKGGNVWVALFKNNEPMMYTYDEYKKGFLDQASGSAVLLLRPGDQVFLQMPSEQAAGLYAGQYVHSSFSGYLLYPM\n",
-            ">T=0.1, sample=0, score=0.6477, seq_recovery=0.4962\n",
-            "EKEAFTALLTTPHPAVGTPIKFNKVIYNGRNVYDPATGIFTCKTPGIYFFTWVLYVYGNDLHAVLYKNDTPILKTYLQNIPGYINQVSGAAVLELEEGDKVYVKIPSSSANGLYASPDNHSYFSGYLLYEK/EKEAFTALLTTPHPAVGTPIKFNKVIYNGRNVYDPATGIFTCKTPGIYFFTWVLYVYGNDLHAVLYKNDTPILKTYLQNIPGYINQVSGAAVLELEEGDKVYVKIPSSSANGLYASPDNHSYFSGYLLYEK/EKEAFTALLTTPHPAVGTPIKFNKVIYNGRNVYDPATGIFTCKTPGIYFFTWVLYVYGNDLHAVLYKNDTPILKTYLQNIPGYINQVSGAAVLELEEGDKVYVKIPSSSANGLYASPDNHSYFSGYLLYEK\n"
+            ">T=0.1, sample=0, score=0.6755, seq_recovery=0.4885\n",
+            "EVEAFTALLTTPHPPVGEPIKFNKLVYNGRNVYDPATGIFTVKTPGVYFFTFVLYVYGADLHAELMKNDTPVIKVYLQTVNGKINQVSGAAVLELEEGDKVYVKIPSASANGLWASADAHSYFSGYLLTEK/EVEAFTALLTTPHPPVGEPIKFNKLVYNGRNVYDPATGIFTVKTPGVYFFTFVLYVYGADLHAELMKNDTPVIKVYLQTVNGKINQVSGAAVLELEEGDKVYVKIPSASANGLWASADAHSYFSGYLLTEK/EVEAFTALLTTPHPPVGEPIKFNKLVYNGRNVYDPATGIFTVKTPGVYFFTFVLYVYGADLHAELMKNDTPVIKVYLQTVNGKINQVSGAAVLELEEGDKVYVKIPSASANGLWASADAHSYFSGYLLTEK\n"
           ]
         }
       ],
@@ -410,13 +406,13 @@
       "metadata": {
         "cellView": "form",
         "id": "xbsaRChNfybM",
-        "outputId": "710af7b3-1ac9-4026-bf4c-26af1bf6f1c8",
+        "outputId": "e87c30dc-d960-4878-acae-f67a3b69fc1c",
         "colab": {
           "base_uri": "https://localhost:8080/",
           "height": 542
         }
       },
-      "execution_count": 52,
+      "execution_count": 14,
       "outputs": [
         {
           "output_type": "display_data",
@@ -426,9 +422,9 @@
               "<head><meta charset=\"utf-8\" /></head>\n",
               "<body>\n",
               "    <div>            <script src=\"https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js?config=TeX-AMS-MML_SVG\"></script><script type=\"text/javascript\">if (window.MathJax) {MathJax.Hub.Config({SVG: {font: \"STIX-Web\"}});}</script>                <script type=\"text/javascript\">window.PlotlyConfig = {MathJaxConfig: 'local'};</script>\n",
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@@ -461,14 +457,14 @@
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         "cellView": "form"
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@@ -526,6 +522,17 @@
         "\n",
         "fig.show()"
       ]
+    },
+    {
+      "cell_type": "code",
+      "source": [
+        ""
+      ],
+      "metadata": {
+        "id": "kWGtCvOHK3GH"
+      },
+      "execution_count": null,
+      "outputs": []
     }
   ],
   "metadata": {