basic template

Dockerfile

@@ -1,9 +1,9 @@
 FROM continuumio/miniconda3
 
 WORKDIR /usr/src/app
-RUN python -v
-RUN mkdir /usr/src/app/flagged
 COPY . .
+# install dependcies
+RUN conda install -y pandas numpy scikit-learn
 RUN pip install --no-cache-dir -r requirements.txt
 EXPOSE 7860
 ENV GRADIO_SERVER_NAME="0.0.0.0"

app.py

@@ -1,6 +0,0 @@
-import gradio as gr
-
-def greet(name):
-    return f"Hello {name}!"
-
-iface = gr.Interface(fn=greet, inputs="text", outputs="text").launch()

inference_app.py

@@ -1,6 +1,39 @@
+
+import time
+
 import gradio as gr
 
-def greet(name):
-    return f"Hello {name}!"
+from gradio_molecule3d import Molecule3D
+
+
+def predict (input_sequence, input_ligand):
+    start_time = time.time()
+    # Do inference here
+    # return an output directory
+    end_time = time.time()
+    run_time = end_time - start_time
+    return None, run_time
+
+with gr.Blocks as app:
+
+    gr.Markdown("# Template for inference")
+
+    gr.Markdown("Title, description, and other information about the model")   
+    with gr.Row():
+        input_sequence = gr.Textbox(lines=3, label="Input sequence")
+        input_ligand = gr.Textbox(lines=3, label="Input ligand SMILES")
+    
+    # define any options here
+
+    # the final for inference should be the default options
+    # slider_option = gr.Slider(0,10, label="Slider Option")
+    # checkbox_option = gr.Checkbox(label="Checkbox Option")
+    # dropdown_option = gr.Dropdown(["Option 1", "Option 2", "Option 3"], label="Radio Option")
+
+    btn = gr.Button(label="Run Inference")
+    out = gr.Molecule3D()
+    run_time = gr.Textbox(label="Runtime")
+
+    btn.click(predict, inputs=[input_sequence, input_ligand], outputs=[out, run_time])
 
-iface = gr.Interface(fn=greet, inputs="text", outputs="text").launch()
+app.launch()