merge local branch with main

.gitignore

@@ -0,0 +1,4 @@
+# Jupyter Notebook
+.ipynb_checkpoints
+
+logs

form.yml.erb

@@ -9,6 +9,9 @@ attributes:
     options:
         - ["test"]
         - ["Alphafold3"]
+        - ["Pytorch"]
+        - ["Tensorflow"]
+        - ["Tensorboard"]
   num_hours:
     widget: 'number_field'
     label: "Number of hours (max 4)"

submit.yml.erb

@@ -1,14 +1,29 @@
+<%-
+  case tutorial
+  when "Pytorch"
+    slurm_args = [
+      "--nodes", "1",
+      "-c", "14",
+      "--gres=gpu:1",
+      "--partition", "ondemand-p100"
+    ]
+  else
+    slurm_args = [
+      "--nodes", "1",
+      "-c", "4",
+      "--partition", "ondemand"
+    ]
+  end
+%>
 ---
 batch_connect:
   template: "basic"
   conn_params:
     - usertutorial
 script:
   native:
-    - "--nodes=1"
-    - "--ntasks=1"
-    - "--cpus-per-task=4"
-    - "--mem=5G"
-    - "--partition=ondemand"
+  <%- slurm_args.each do |arg| %>
+    - "<%= arg %>"
+  <%- end %>
     - "--time=<%= num_hours.to_i %>:00:00"
-    - "-J=Tutorial"
+    - "-J Tutorial"

template/alphafold3.ipynb

@@ -25,7 +25,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
+   "display_name": "Python 3",
    "language": "python",
    "name": "python3"
   },
@@ -39,7 +39,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.10"
+   "version": "3.6.8"
   }
  },
  "nbformat": 4,